#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fyu s GLN 2 N 0.00 1.41 0.50 3.17 2.00 -1.26 -5.08 119.66 120.40 3fyu s GLN 2 Ca 0.00 -1.12 -0.21 0.00 -2.00 0.00 0.00 55.36 52.03 3fyu s GLN 2 Cb 0.00 0.47 -0.09 0.00 0.80 0.00 0.00 33.01 34.18 3fyu s GLN 2 CO 0.00 -0.58 0.77 1.28 -0.50 0.00 0.00 175.29 176.26 3fyu n LEU 3 N -0.33 1.76 0.00 3.68 4.32 -1.26 -4.76 117.00 120.41 3fyu n LEU 3 Ca -0.05 0.88 0.00 0.00 -0.02 0.00 0.00 56.01 56.82 3fyu n LEU 3 Cb 0.62 -1.26 0.00 0.00 -1.62 0.00 0.00 43.42 41.16 3fyu n LEU 3 CO 0.21 -2.28 0.00 2.22 -1.22 0.00 0.00 177.39 176.32 3fyu n PHE 4 N -1.14 0.00 -0.17 -1.77 -1.74 -1.26 -5.09 117.46 106.29 3fyu n PHE 4 Ca 0.11 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.00 3fyu n PHE 4 Cb 0.43 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.43 3fyu n PHE 4 CO 0.00 0.00 0.00 -3.47 -0.56 0.00 0.00 176.76 172.73 3fyu n ASP 5 N -0.67 -0.03 -4.70 5.98 -0.08 -1.26 -5.01 116.55 110.78 3fyu n ASP 5 Ca 0.00 -0.17 -0.32 0.00 -1.51 0.00 0.00 54.79 52.79 3fyu n ASP 5 Cb 0.00 0.00 0.14 0.00 2.34 0.00 0.00 41.12 43.60 3fyu n ASP 5 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3fyu s LEU 6 N 0.00 2.98 0.71 -2.67 1.43 -1.26 -4.96 118.68 114.91 3fyu s LEU 6 Ca 0.00 2.18 -0.14 0.00 -1.03 0.00 0.00 54.13 55.14 3fyu s LEU 6 Cb 0.00 -4.57 0.03 0.00 0.03 0.00 0.00 46.19 41.68 3fyu s LEU 6 CO 0.00 -2.77 1.14 -0.94 0.23 0.00 0.00 176.35 174.00 3fyu s SER 7 N -2.64 4.64 0.31 2.29 1.04 -1.26 -4.71 113.70 113.36 3fyu s SER 7 Ca 0.68 2.09 0.03 0.00 0.48 0.00 0.00 55.95 59.23 3fyu s SER 7 Cb -0.23 -2.56 0.62 0.00 0.10 0.00 0.00 66.02 63.95 3fyu s SER 7 CO 0.55 -1.95 1.86 0.25 0.98 0.00 0.00 173.24 174.93 3fyu h LEU 8 N -0.33 0.85 -1.25 2.42 5.85 -1.99 0.13 115.31 120.99 3fyu h LEU 8 Ca -0.46 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 3fyu h LEU 8 Cb 1.26 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 3fyu h LEU 8 CO 0.52 0.46 0.37 -0.08 -0.34 0.00 0.00 178.44 179.37 3fyu h GLU 9 N 0.92 0.88 0.02 1.25 4.81 -2.01 -2.39 114.58 118.06 3fyu h GLU 9 Ca 0.47 -0.08 -0.22 0.00 -0.13 0.00 0.00 59.36 59.39 3fyu h GLU 9 Cb 0.51 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 3fyu h GLU 9 CO -0.23 0.64 -1.08 0.93 -0.73 0.00 0.00 179.01 178.54 3fyu h GLU 10 N 0.90 0.04 -0.70 1.92 5.08 -1.41 -3.30 114.58 117.10 3fyu h GLU 10 Ca 0.23 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 3fyu h GLU 10 Cb -0.00 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 3fyu h GLU 10 CO -0.04 1.00 0.38 -0.07 -1.00 0.00 0.00 179.01 179.29 3fyu h LEU 11 N 0.01 0.87 -1.96 1.33 3.38 -0.34 -1.00 115.31 117.60 3fyu h LEU 11 Ca -0.04 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.85 3fyu h LEU 11 Cb 1.81 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 42.34 3fyu h LEU 11 CO 0.14 0.72 0.07 0.11 0.09 0.00 0.00 178.44 179.57 3fyu h LYS 12 N 0.96 0.05 -0.01 1.13 1.57 -1.53 -1.80 116.57 116.94 3fyu h LYS 12 Ca 0.25 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3fyu h LYS 12 Cb 0.04 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3fyu h LYS 12 CO -0.04 0.04 -0.60 1.63 -0.57 0.00 0.00 179.45 179.91 3fyu n LYS 13 N -4.52 0.82 -2.10 3.15 5.02 -0.95 -4.92 118.16 114.67 3fyu n LYS 13 Ca -0.01 -0.66 -0.43 0.00 -2.02 0.00 0.00 58.31 55.19 3fyu n LYS 13 Cb 0.15 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.65 3fyu n LYS 13 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3fyu s TYR 14 N -2.64 2.01 -0.44 2.13 5.04 -0.42 -4.89 117.35 118.14 3fyu s TYR 14 Ca 0.16 0.61 0.05 0.00 -2.44 0.00 0.00 57.07 55.44 3fyu s TYR 14 Cb 0.18 -4.12 0.18 0.00 0.35 0.00 0.00 41.96 38.54 3fyu s TYR 14 CO 0.65 -2.77 0.46 0.21 -1.34 0.00 0.00 175.55 172.76 3fyu s LYS 15 N 5.21 0.94 0.43 4.97 2.20 -1.26 -4.13 119.74 128.11 3fyu s LYS 15 Ca 0.74 -1.75 -0.25 0.00 -0.36 0.00 0.00 55.97 54.34 3fyu s LYS 15 Cb -0.22 -0.98 -0.09 0.00 -1.51 0.00 0.00 37.83 35.03 3fyu s LYS 15 CO 0.32 -1.36 1.33 -0.35 -0.36 0.00 0.00 175.35 174.92 3fyu n PRO 16 N 2.92 2.03 -1.69 4.03 -0.04 -1.26 -4.91 135.00 136.09 3fyu n PRO 16 Ca 0.26 0.72 -0.43 0.00 -0.04 0.00 0.00 63.50 64.01 3fyu n PRO 16 Cb 0.50 -2.47 -0.02 0.00 -0.04 0.00 0.00 33.50 31.48 3fyu n PRO 16 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3fyu n LYS 17 N -0.06 2.10 -1.71 0.54 4.81 -1.26 -4.90 118.16 117.68 3fyu n LYS 17 Ca 0.06 0.74 -0.37 0.00 -0.87 0.00 0.00 58.31 57.87 3fyu n LYS 17 Cb 0.40 -2.36 0.06 0.00 0.02 0.00 0.00 35.03 33.16 3fyu n LYS 17 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3fyu n LYS 18 N 1.25 1.18 -0.20 1.64 5.02 -1.26 -4.91 118.16 120.88 3fyu n LYS 18 Ca 0.08 0.46 0.06 0.00 -2.02 0.00 0.00 58.31 56.89 3fyu n LYS 18 Cb 0.34 -2.48 0.17 0.00 -0.02 0.00 0.00 35.03 33.04 3fyu n LYS 18 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3fyu n THR 19 N -1.73 0.99 -1.82 -0.18 -2.24 -1.26 -5.02 114.28 103.02 3fyu n THR 19 Ca 0.15 -1.00 -0.42 0.00 -2.27 0.00 0.00 64.05 60.51 3fyu n THR 19 Cb 0.47 0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 69.18 3fyu n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fyu s ALA 20 N -1.00 3.75 0.81 6.98 0.00 -1.26 -4.85 121.76 126.19 3fyu s ALA 20 Ca 0.26 1.36 -0.11 0.00 0.00 0.00 0.00 51.96 53.47 3fyu s ALA 20 Cb 0.13 -3.71 0.08 0.00 0.00 0.00 0.00 23.12 19.62 3fyu s ALA 20 CO 0.18 -1.10 1.09 1.03 0.00 0.00 0.00 175.76 176.96 3fyu s ARG 21 N 2.37 1.95 0.52 0.00 3.00 -1.26 -4.91 118.95 120.62 3fyu s ARG 21 Ca 0.76 0.87 0.24 0.00 0.00 0.00 0.00 55.73 57.60 3fyu s ARG 21 Cb -0.44 -1.88 1.36 0.00 0.00 0.00 0.00 34.95 33.99 3fyu s ARG 21 CO 0.34 -1.77 2.00 -1.35 0.00 0.00 0.00 175.30 174.52 3fyu h PRO 22 N -1.21 0.03 -0.64 3.54 0.11 -2.04 -0.61 132.00 131.18 3fyu h PRO 22 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3fyu h PRO 22 Cb 1.26 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3fyu h PRO 22 CO 0.55 0.02 0.00 -0.40 -0.21 0.00 0.00 178.00 177.96 3fyu n ASP 23 N -4.40 4.61 0.07 -2.05 5.75 -1.26 -4.61 116.55 114.67 3fyu n ASP 23 Ca 0.09 -2.53 -0.10 0.00 -0.01 0.00 0.00 54.79 52.25 3fyu n ASP 23 Cb 0.56 -0.58 -0.06 0.00 -1.03 0.00 0.00 41.12 40.00 3fyu n ASP 23 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 3fyu h PHE 24 N 3.67 -0.91 -0.96 2.11 3.57 -1.45 0.32 116.94 123.29 3fyu h PHE 24 Ca 0.00 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.65 3fyu h PHE 24 Cb 1.48 0.38 -0.09 0.00 2.79 0.00 0.00 35.95 40.52 3fyu h PHE 24 CO 0.78 -0.36 0.58 1.03 -2.23 0.00 0.00 178.31 178.12 3fyu h SER 25 N -0.46 0.82 -0.37 0.41 0.87 -1.82 -2.02 113.55 110.98 3fyu h SER 25 Ca -0.01 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 3fyu h SER 25 Cb 0.45 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.30 3fyu h SER 25 CO -0.16 0.41 0.18 -0.78 -0.53 0.00 0.00 176.83 175.94 3fyu h ASP 26 N 0.88 0.49 -0.86 6.23 3.58 -1.66 -1.99 116.42 123.09 3fyu h ASP 26 Ca 0.49 -0.13 0.06 0.00 0.42 0.00 0.00 57.03 57.87 3fyu h ASP 26 Cb 0.55 -0.13 -0.05 0.00 1.72 0.00 0.00 39.33 41.43 3fyu h ASP 26 CO -0.29 0.48 0.56 0.15 -2.88 0.00 0.00 179.24 177.26 3fyu h PHE 27 N 0.46 1.00 -0.01 0.28 3.57 0.35 -1.63 116.94 120.96 3fyu h PHE 27 Ca 0.13 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.48 3fyu h PHE 27 Cb 0.12 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 3fyu h PHE 27 CO -0.01 0.54 -0.79 -1.49 -2.23 0.00 0.00 178.31 174.33 3fyu h TRP 28 N 1.00 0.19 -0.17 0.41 4.06 -1.25 -1.23 115.95 118.96 3fyu h TRP 28 Ca 0.36 -0.10 -0.02 0.00 2.06 0.00 0.00 58.89 61.20 3fyu h TRP 28 Cb 0.15 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.28 3fyu h TRP 28 CO -0.00 0.86 0.05 -0.22 -3.56 0.00 0.00 178.44 175.57 3fyu h LYS 29 N 0.08 0.27 -0.51 0.49 3.64 -0.72 -0.27 116.57 119.56 3fyu h LYS 29 Ca -0.02 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.20 3fyu h LYS 29 Cb 1.38 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.14 3fyu h LYS 29 CO 0.11 0.40 -0.05 0.87 -2.27 0.00 0.00 179.45 178.51 3fyu h LYS 30 N 0.10 0.89 -0.61 1.90 1.57 -1.31 -1.47 116.57 117.65 3fyu h LYS 30 Ca 0.06 -0.28 -0.08 0.00 -1.87 0.00 0.00 60.65 58.47 3fyu h LYS 30 Cb 0.24 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3fyu h LYS 30 CO -0.00 0.92 0.05 0.77 -0.57 0.00 0.00 179.45 180.62 3fyu h SER 31 N 0.81 0.98 0.07 0.86 0.02 -1.04 -0.43 113.55 114.83 3fyu h SER 31 Ca 0.14 -0.25 -0.12 0.00 -0.84 0.00 0.00 61.79 60.73 3fyu h SER 31 Cb 0.56 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 3fyu h SER 31 CO 0.03 1.01 -0.38 -0.07 -1.14 0.00 0.00 176.83 176.28 3fyu h LEU 32 N 0.95 0.44 -0.53 5.07 3.38 -0.84 -1.98 115.31 121.79 3fyu h LEU 32 Ca 0.18 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3fyu h LEU 32 Cb 0.48 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3fyu h LEU 32 CO 0.02 0.78 0.05 -0.08 0.09 0.00 0.00 178.44 179.30 3fyu h GLU 33 N 0.35 0.90 0.00 1.13 4.57 -0.67 0.01 114.58 120.87 3fyu h GLU 33 Ca 0.03 -0.26 -0.07 0.00 -1.18 0.00 0.00 59.36 57.89 3fyu h GLU 33 Cb 0.83 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.32 3fyu h GLU 33 CO 0.07 0.89 -0.32 0.93 -1.18 0.00 0.00 179.01 179.40 3fyu h GLU 34 N 0.78 0.00 -0.14 1.92 5.08 -0.88 -2.16 114.58 119.18 3fyu h GLU 34 Ca 0.16 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 3fyu h GLU 34 Cb 0.46 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 3fyu h GLU 34 CO 0.02 0.32 -0.04 1.25 -1.00 0.00 0.00 179.01 179.55 3fyu h LEU 35 N 0.00 0.27 -1.83 1.33 5.85 -0.66 -2.96 115.31 117.31 3fyu h LEU 35 Ca -0.00 -0.39 0.10 0.00 0.84 0.00 0.00 57.88 58.43 3fyu h LEU 35 Cb 0.63 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 3fyu h LEU 35 CO 0.04 0.60 0.33 -0.09 -0.34 0.00 0.00 178.44 178.98 3fyu h ARG 36 N -0.05 0.19 0.00 1.25 2.43 -0.58 -0.07 114.38 117.55 3fyu h ARG 36 Ca 0.03 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3fyu h ARG 36 Cb 0.48 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3fyu h ARG 36 CO 0.02 0.13 0.00 1.04 -1.51 0.00 0.00 179.97 179.64 3fyu n GLN 37 N -4.45 0.60 -4.05 0.20 6.02 -0.85 -4.52 117.38 110.33 3fyu n GLN 37 Ca 0.08 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.73 3fyu n GLN 37 Cb 0.41 -1.38 -0.15 0.00 1.02 0.00 0.00 30.24 30.13 3fyu n GLN 37 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3fyu s VAL 38 N -2.00 2.37 0.13 5.09 1.01 -0.04 -5.09 120.40 121.87 3fyu s VAL 38 Ca 0.22 -1.17 -0.31 0.00 0.00 0.00 0.00 61.98 60.72 3fyu s VAL 38 Cb 0.10 -2.19 -0.09 0.00 0.00 0.00 0.00 36.38 34.20 3fyu s VAL 38 CO 0.17 0.26 1.54 -1.61 0.00 0.00 0.00 175.10 175.46 3fyu s GLU 39 N 1.25 4.24 0.18 2.72 0.41 -1.26 -4.86 118.70 121.37 3fyu s GLU 39 Ca -0.01 2.28 -0.14 0.00 -0.41 0.00 0.00 54.97 56.70 3fyu s GLU 39 Cb -0.16 -3.25 0.17 0.00 -1.78 0.00 0.00 34.13 29.10 3fyu s GLU 39 CO -0.08 -0.59 1.70 0.00 -0.49 0.00 0.00 175.26 175.80 3fyu h ALA 40 N 7.06 0.47 -6.70 5.21 0.00 -1.94 -3.38 119.26 119.98 3fyu h ALA 40 Ca -0.42 0.12 -0.54 0.00 0.00 0.00 0.00 54.91 54.07 3fyu h ALA 40 Cb 1.20 0.19 -0.16 0.00 0.00 0.00 0.00 17.79 19.03 3fyu h ALA 40 CO 0.91 -0.36 -0.87 0.39 0.00 0.00 0.00 179.25 179.32 3fyu n GLU 41 N -5.18 -2.93 -1.22 0.00 1.02 -1.26 0.88 120.64 111.95 3fyu n GLU 41 Ca 0.05 0.35 -0.34 0.00 -0.02 0.00 0.00 57.16 57.19 3fyu n GLU 41 Cb 0.24 -4.72 0.11 0.00 -0.02 0.00 0.00 31.44 27.05 3fyu n GLU 41 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3fyu n PRO 42 N -4.40 0.35 -3.86 3.49 -0.04 -1.26 -4.56 135.00 124.71 3fyu n PRO 42 Ca -0.11 0.19 -0.12 0.00 -0.04 0.00 0.00 63.50 63.41 3fyu n PRO 42 Cb 0.58 -2.40 -0.14 0.00 -0.04 0.00 0.00 33.50 31.50 3fyu n PRO 42 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3fyu s THR 43 N -1.98 -0.01 -0.06 0.52 -4.23 -0.42 -4.97 115.64 104.50 3fyu s THR 43 Ca 0.74 0.03 0.05 0.00 -1.18 0.00 0.00 61.69 61.33 3fyu s THR 43 Cb -0.31 -0.02 -0.02 0.00 1.34 0.00 0.00 72.50 73.49 3fyu s THR 43 CO 0.50 0.01 -0.21 -0.76 -0.54 0.00 0.00 174.62 173.62 3fyu s LEU 44 N 0.13 2.31 -0.06 4.79 2.01 -1.26 -2.04 118.68 124.56 3fyu s LEU 44 Ca -0.01 -0.40 -0.01 0.00 0.01 0.00 0.00 54.13 53.71 3fyu s LEU 44 Cb -0.02 -1.44 0.03 0.00 0.01 0.00 0.00 46.19 44.77 3fyu s LEU 44 CO -0.00 0.27 0.01 -0.70 1.01 0.00 0.00 176.35 176.94 3fyu s GLU 45 N -0.33 0.44 0.42 1.70 2.12 -0.70 -4.95 118.70 117.40 3fyu s GLU 45 Ca 0.02 0.16 -0.26 0.00 0.36 0.00 0.00 54.97 55.25 3fyu s GLU 45 Cb -0.13 -0.83 -0.10 0.00 0.26 0.00 0.00 34.13 33.34 3fyu s GLU 45 CO 0.02 -0.29 1.38 -1.13 -0.54 0.00 0.00 175.26 174.70 3fyu n SER 46 N 5.07 3.10 -3.86 -1.70 3.41 -1.26 -0.03 113.62 118.35 3fyu n SER 46 Ca -0.08 1.14 -0.26 0.00 -0.26 0.00 0.00 58.87 59.41 3fyu n SER 46 Cb 0.50 -1.56 -0.17 0.00 -0.26 0.00 0.00 64.21 62.72 3fyu n SER 46 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3fyu s TYR 47 N -1.17 1.27 0.36 7.33 5.04 0.91 -4.77 117.35 126.32 3fyu s TYR 47 Ca 0.59 -0.65 -0.28 0.00 -2.44 0.00 0.00 57.07 54.30 3fyu s TYR 47 Cb -0.48 -1.12 -0.10 0.00 0.35 0.00 0.00 41.96 40.61 3fyu s TYR 47 CO 0.59 -0.49 1.39 -0.51 -1.34 0.00 0.00 175.55 175.20 3fyu s ASP 48 N 1.78 6.49 -0.22 4.32 1.01 -1.26 -4.28 116.67 124.51 3fyu s ASP 48 Ca 0.04 2.86 -0.14 0.00 0.71 0.00 0.00 52.55 56.02 3fyu s ASP 48 Cb -0.13 -2.66 0.07 0.00 1.01 0.00 0.00 42.92 41.21 3fyu s ASP 48 CO -0.07 -0.75 0.56 -0.47 0.21 0.00 0.00 175.17 174.65 3fyu s TYR 49 N -1.15 -0.80 -0.49 4.23 6.14 -1.26 -5.06 117.35 118.96 3fyu s TYR 49 Ca 0.52 1.69 -0.09 0.00 0.64 0.00 0.00 57.07 59.83 3fyu s TYR 49 Cb -0.43 0.41 -0.08 0.00 0.42 0.00 0.00 41.96 42.28 3fyu s TYR 49 CO 0.57 -0.41 1.65 -0.35 0.64 0.00 0.00 175.55 177.65 3fyu n PRO 50 N 3.96 1.08 -3.99 4.97 -0.04 -1.26 -4.79 135.00 134.92 3fyu n PRO 50 Ca -0.20 -1.14 -0.11 0.00 -0.04 0.00 0.00 63.50 62.01 3fyu n PRO 50 Cb 0.57 -2.37 -0.12 0.00 -0.04 0.00 0.00 33.50 31.54 3fyu n PRO 50 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3fyu s VAL 51 N 4.55 0.21 -0.07 0.52 0.11 -1.26 -5.15 120.40 119.30 3fyu s VAL 51 Ca 0.32 -0.66 0.00 0.00 -2.93 0.00 0.00 61.98 58.71 3fyu s VAL 51 Cb 0.08 -0.29 -0.03 0.00 -1.53 0.00 0.00 36.38 34.61 3fyu s VAL 51 CO 0.04 -0.29 -0.06 -0.75 -3.33 0.00 0.00 175.10 170.71 3fyu s LYS 52 N -1.00 2.82 0.00 1.54 2.20 -1.26 -4.50 119.74 119.54 3fyu s LYS 52 Ca -0.09 -0.53 0.00 0.00 -0.36 0.00 0.00 55.97 54.99 3fyu s LYS 52 Cb -0.07 -2.63 0.00 0.00 -1.51 0.00 0.00 37.83 33.63 3fyu s LYS 52 CO -0.00 0.65 0.00 0.41 -0.36 0.00 0.00 175.35 176.04 3fyu n GLY 53 N 2.28 0.72 3.04 5.54 0.00 -1.26 -5.03 105.19 110.48 3fyu n GLY 53 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 3fyu n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fyu s VAL 54 N -2.08 0.01 -0.18 1.61 1.01 -1.26 -0.34 120.40 119.15 3fyu s VAL 54 Ca 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 3fyu s VAL 54 Cb 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 36.11 3fyu s VAL 54 CO 0.00 -0.03 0.01 -0.54 0.00 0.00 0.00 175.10 174.54 3fyu s LYS 55 N -0.01 3.72 -0.08 2.72 -0.14 0.12 -4.82 119.74 121.24 3fyu s LYS 55 Ca -0.01 -0.48 0.00 0.00 -1.36 0.00 0.00 55.97 54.12 3fyu s LYS 55 Cb -0.02 -3.07 -0.03 0.00 -1.68 0.00 0.00 37.83 33.04 3fyu s LYS 55 CO 0.00 0.14 -0.07 0.08 -0.76 0.00 0.00 175.35 174.75 3fyu s VAL 56 N 0.67 3.71 0.12 3.17 1.01 -1.26 -0.05 120.40 127.77 3fyu s VAL 56 Ca 0.00 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.54 3fyu s VAL 56 Cb -0.14 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 3fyu s VAL 56 CO 0.02 0.58 -0.06 -0.31 0.00 0.00 0.00 175.10 175.33 3fyu s TYR 57 N -0.61 1.04 -0.24 5.22 1.51 0.32 -0.06 117.35 124.53 3fyu s TYR 57 Ca 0.09 -0.89 -0.07 0.00 -1.01 0.00 0.00 57.07 55.19 3fyu s TYR 57 Cb -0.12 -0.58 -0.03 0.00 -0.11 0.00 0.00 41.96 41.13 3fyu s TYR 57 CO 0.02 -0.10 0.06 0.50 -1.11 0.00 0.00 175.55 174.92 3fyu s ARG 58 N -3.82 3.66 -0.05 -0.62 3.52 0.96 0.73 118.95 123.32 3fyu s ARG 58 Ca 0.15 -0.48 0.01 0.00 -0.13 0.00 0.00 55.73 55.29 3fyu s ARG 58 Cb 0.05 -3.27 -0.03 0.00 -1.56 0.00 0.00 34.95 30.13 3fyu s ARG 58 CO -0.02 -0.13 -0.07 -1.17 -0.81 0.00 0.00 175.30 173.11 3fyu s LEU 59 N 1.44 3.18 0.08 -0.88 2.96 -0.15 -1.72 118.68 123.59 3fyu s LEU 59 Ca 0.05 -0.04 -0.00 0.00 -0.22 0.00 0.00 54.13 53.92 3fyu s LEU 59 Cb -0.15 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 3fyu s LEU 59 CO 0.03 0.35 -0.02 0.42 -1.32 0.00 0.00 176.35 175.80 3fyu s THR 60 N -0.85 0.37 -0.08 3.68 -4.23 -0.87 -2.35 115.64 111.31 3fyu s THR 60 Ca 0.13 -1.87 -0.30 0.00 -1.18 0.00 0.00 61.69 58.47 3fyu s THR 60 Cb -0.11 -1.69 0.11 0.00 1.34 0.00 0.00 72.50 72.16 3fyu s THR 60 CO 0.03 -0.85 0.94 -0.72 -0.54 0.00 0.00 174.62 173.48 3fyu s TYR 61 N -3.84 -0.35 0.12 3.99 1.13 -0.83 -1.30 117.35 116.28 3fyu s TYR 61 Ca 0.12 0.39 -0.22 0.00 -1.41 0.00 0.00 57.07 55.95 3fyu s TYR 61 Cb 0.07 0.50 -0.07 0.00 -1.10 0.00 0.00 41.96 41.36 3fyu s TYR 61 CO -0.06 -0.45 0.67 -0.65 -2.51 0.00 0.00 175.55 172.56 3fyu s GLN 62 N -2.26 4.38 0.02 -3.49 -1.52 0.25 -1.03 119.66 116.02 3fyu s GLN 62 Ca 0.02 0.95 0.00 0.00 -1.95 0.00 0.00 55.36 54.38 3fyu s GLN 62 Cb -0.01 -3.25 -0.00 0.00 -0.22 0.00 0.00 33.01 29.53 3fyu s GLN 62 CO -0.04 0.61 0.01 0.45 -0.25 0.00 0.00 175.29 176.07 3fyu n SER 63 N 1.65 0.31 -4.00 5.90 2.88 -0.11 -4.28 113.62 115.97 3fyu n SER 63 Ca -0.08 -1.13 -0.48 0.00 -1.33 0.00 0.00 58.87 55.85 3fyu n SER 63 Cb 0.50 0.09 -0.05 0.00 -0.75 0.00 0.00 64.21 63.99 3fyu n SER 63 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 3fyu n PHE 64 N -0.04 0.05 -1.27 0.66 7.35 -1.26 -0.14 117.46 122.80 3fyu n PHE 64 Ca 0.00 0.91 -0.09 0.00 -0.76 0.00 0.00 57.45 57.51 3fyu n PHE 64 Cb 0.04 -1.82 -0.04 0.00 0.35 0.00 0.00 39.48 38.01 3fyu n PHE 64 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3fyu n GLY 65 N 1.58 1.07 3.73 7.13 0.00 -1.26 -2.87 105.19 114.58 3fyu n GLY 65 Ca 0.17 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 3fyu n GLY 65 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3fyu n HIS 66 N -2.61 -2.63 -3.36 1.61 8.25 0.81 -4.72 115.22 112.57 3fyu n HIS 66 Ca -0.09 0.97 -0.38 0.00 -0.26 0.00 0.00 57.72 57.96 3fyu n HIS 66 Cb 0.37 -4.59 -0.06 0.00 1.12 0.00 0.00 29.99 26.83 3fyu n HIS 66 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3fyu s SER 67 N -3.34 6.79 -0.60 0.41 0.01 -0.92 -4.81 113.70 111.25 3fyu s SER 67 Ca 0.61 0.94 -0.26 0.00 1.31 0.00 0.00 55.95 58.55 3fyu s SER 67 Cb -0.29 -2.29 0.04 0.00 0.21 0.00 0.00 66.02 63.69 3fyu s SER 67 CO 0.77 0.15 1.10 -0.75 0.41 0.00 0.00 173.24 174.92 3fyu s LYS 68 N -0.20 3.38 0.11 12.44 2.47 -1.26 -0.93 119.74 135.75 3fyu s LYS 68 Ca 0.26 -0.06 -0.13 0.00 -1.56 0.00 0.00 55.97 54.47 3fyu s LYS 68 Cb -0.16 -4.06 -0.06 0.00 -1.46 0.00 0.00 37.83 32.08 3fyu s LYS 68 CO 0.13 -1.68 0.50 0.42 0.16 0.00 0.00 175.35 174.88 3fyu s ILE 69 N 4.65 4.93 0.43 5.43 -1.09 -0.20 -0.77 121.20 134.57 3fyu s ILE 69 Ca 0.36 0.76 0.04 0.00 -2.23 0.00 0.00 60.65 59.58 3fyu s ILE 69 Cb -0.10 -3.72 -0.01 0.00 -1.58 0.00 0.00 42.46 37.05 3fyu s ILE 69 CO 0.21 0.31 0.14 -0.62 -1.23 0.00 0.00 174.94 173.75 3fyu n GLU 70 N 0.98 0.58 0.00 2.79 1.02 -1.26 -1.95 120.64 122.79 3fyu n GLU 70 Ca -0.07 -3.55 0.00 0.00 -0.02 0.00 0.00 57.16 53.52 3fyu n GLU 70 Cb 0.52 1.87 0.00 0.00 -0.02 0.00 0.00 31.44 33.81 3fyu n GLU 70 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fyu n GLY 71 N -0.90 3.37 3.80 0.62 0.00 -0.99 -0.59 105.19 110.49 3fyu n GLY 71 Ca -0.07 -0.91 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 3fyu n GLY 71 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fyu s PHE 72 N -2.00 3.78 -0.19 1.61 0.40 -1.24 -0.98 117.98 119.36 3fyu s PHE 72 Ca 0.00 1.47 0.01 0.00 -0.60 0.00 0.00 56.93 57.81 3fyu s PHE 72 Cb 0.00 -2.66 0.03 0.00 0.51 0.00 0.00 43.02 40.90 3fyu s PHE 72 CO 0.00 0.45 -0.13 -0.47 0.70 0.00 0.00 175.22 175.77 3fyu s TYR 73 N -1.31 2.49 -0.11 0.36 5.04 0.22 -1.42 117.35 122.62 3fyu s TYR 73 Ca 0.38 -1.57 0.00 0.00 -2.44 0.00 0.00 57.07 53.45 3fyu s TYR 73 Cb -0.20 -1.70 -0.02 0.00 0.35 0.00 0.00 41.96 40.39 3fyu s TYR 73 CO 0.23 -0.75 -0.12 0.00 -1.34 0.00 0.00 175.55 173.57 3fyu s ALA 74 N 1.38 2.70 -0.03 3.97 0.00 0.04 0.12 121.76 129.93 3fyu s ALA 74 Ca 0.01 -0.90 0.06 0.00 0.00 0.00 0.00 51.96 51.13 3fyu s ALA 74 Cb -0.15 -1.20 -0.01 0.00 0.00 0.00 0.00 23.12 21.75 3fyu s ALA 74 CO -0.09 0.33 -0.20 0.08 0.00 0.00 0.00 175.76 175.88 3fyu s VAL 75 N 0.06 1.58 0.21 0.00 1.01 0.93 -0.28 120.40 123.90 3fyu s VAL 75 Ca -0.04 -0.83 -0.32 0.00 0.00 0.00 0.00 61.98 60.78 3fyu s VAL 75 Cb -0.14 -1.33 -0.13 0.00 0.00 0.00 0.00 36.38 34.78 3fyu s VAL 75 CO 0.04 0.45 1.62 -2.65 0.00 0.00 0.00 175.10 174.56 3fyu n PRO 76 N 2.81 2.46 -1.94 2.72 -0.02 -1.26 -0.70 135.00 139.07 3fyu n PRO 76 Ca -0.16 0.89 -0.42 0.00 -2.02 0.00 0.00 63.50 61.78 3fyu n PRO 76 Cb 0.53 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 3fyu n PRO 76 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3fyu n ASP 77 N 3.35 4.24 -3.63 2.55 2.03 0.54 -4.76 116.55 120.86 3fyu n ASP 77 Ca 0.15 -2.91 -0.09 0.00 0.52 0.00 0.00 54.79 52.46 3fyu n ASP 77 Cb 0.32 -1.62 -0.02 0.00 -0.72 0.00 0.00 41.12 39.08 3fyu n ASP 77 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3fyu s GLN 78 N 2.59 1.38 0.27 -0.67 -2.07 -1.26 -4.83 119.66 115.06 3fyu s GLN 78 Ca 0.46 -0.65 -0.30 0.00 -1.82 0.00 0.00 55.36 53.04 3fyu s GLN 78 Cb 0.12 0.54 -0.11 0.00 -1.09 0.00 0.00 33.01 32.47 3fyu s GLN 78 CO -0.06 -0.62 1.58 0.95 -1.32 0.00 0.00 175.29 175.82 3fyu s THR 79 N -3.65 2.21 0.00 3.63 -4.23 -1.26 -5.02 115.64 107.32 3fyu s THR 79 Ca 0.07 0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.75 3fyu s THR 79 Cb -0.03 -3.11 0.00 0.00 1.34 0.00 0.00 72.50 70.70 3fyu s THR 79 CO -0.03 0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 3fyu n GLY 80 N 2.50 0.86 3.77 3.99 0.00 -1.26 -4.88 105.19 110.17 3fyu n GLY 80 Ca 0.09 -1.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.05 3fyu n GLY 80 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3fyu s PRO 81 N 1.51 2.63 0.18 1.61 0.02 -1.26 -5.11 135.00 134.58 3fyu s PRO 81 Ca 0.00 1.34 0.09 0.00 0.02 0.00 0.00 61.00 62.44 3fyu s PRO 81 Cb 0.00 -1.93 -0.04 0.00 0.02 0.00 0.00 34.50 32.55 3fyu s PRO 81 CO 0.00 -1.38 -0.10 -1.01 -0.33 0.00 0.00 177.00 174.18 3fyu s HIS 82 N -2.49 2.62 0.56 6.54 3.76 0.79 -4.74 115.29 122.34 3fyu s HIS 82 Ca 0.65 -0.22 -0.17 0.00 -0.15 0.00 0.00 55.06 55.17 3fyu s HIS 82 Cb -0.20 -1.28 -0.05 0.00 1.11 0.00 0.00 32.58 32.16 3fyu s HIS 82 CO 0.46 0.51 1.06 -1.25 -0.85 0.00 0.00 174.74 174.67 3fyu s PRO 83 N -2.82 3.42 0.22 8.40 0.04 -1.26 -0.70 135.00 142.30 3fyu s PRO 83 Ca 0.25 1.29 0.08 0.00 0.04 0.00 0.00 61.00 62.66 3fyu s PRO 83 Cb -0.09 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 3fyu s PRO 83 CO 0.15 -0.74 -0.15 0.00 0.04 0.00 0.00 177.00 176.30 3fyu s ALA 84 N -2.27 2.13 -0.02 8.56 0.00 0.14 -1.24 121.76 129.06 3fyu s ALA 84 Ca 0.65 -1.70 0.00 0.00 0.00 0.00 0.00 51.96 50.92 3fyu s ALA 84 Cb -0.17 -0.11 0.03 0.00 0.00 0.00 0.00 23.12 22.87 3fyu s ALA 84 CO 0.32 0.10 0.02 -0.51 0.00 0.00 0.00 175.76 175.68 3fyu s LEU 85 N -3.35 1.22 -0.34 0.00 1.43 0.09 0.99 118.68 118.73 3fyu s LEU 85 Ca 0.24 0.01 -0.07 0.00 -1.03 0.00 0.00 54.13 53.28 3fyu s LEU 85 Cb -0.01 -0.11 0.03 0.00 0.03 0.00 0.00 46.19 46.13 3fyu s LEU 85 CO 0.08 -0.10 0.12 -0.69 0.23 0.00 0.00 176.35 175.99 3fyu s VAL 86 N 0.91 3.95 -0.15 -1.59 1.01 0.18 -0.71 120.40 123.99 3fyu s VAL 86 Ca -0.08 -1.01 -0.13 0.00 0.00 0.00 0.00 61.98 60.75 3fyu s VAL 86 Cb -0.11 -3.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 3fyu s VAL 86 CO -0.02 -0.15 0.28 -0.60 0.00 0.00 0.00 175.10 174.61 3fyu s ARG 87 N 1.44 4.19 -0.16 2.72 3.52 0.60 -2.08 118.95 129.19 3fyu s ARG 87 Ca -0.00 0.07 -0.03 0.00 -0.13 0.00 0.00 55.73 55.64 3fyu s ARG 87 Cb -0.19 -3.40 -0.02 0.00 -1.56 0.00 0.00 34.95 29.77 3fyu s ARG 87 CO 0.03 0.29 -0.05 -0.06 -0.81 0.00 0.00 175.30 174.71 3fyu s PHE 88 N 0.31 2.99 0.64 5.12 0.40 -0.09 -2.62 117.98 124.74 3fyu s PHE 88 Ca 0.16 -0.39 -0.09 0.00 -0.60 0.00 0.00 56.93 56.01 3fyu s PHE 88 Cb -0.13 -1.96 0.00 0.00 0.51 0.00 0.00 43.02 41.44 3fyu s PHE 88 CO 0.04 -0.10 1.00 -3.38 0.70 0.00 0.00 175.22 173.48 3fyu s HIS 89 N 0.47 3.37 0.72 0.36 -3.43 -1.26 -3.74 115.29 111.77 3fyu s HIS 89 Ca -0.04 0.94 -0.11 0.00 -0.80 0.00 0.00 55.06 55.05 3fyu s HIS 89 Cb -0.14 -2.86 0.02 0.00 -1.43 0.00 0.00 32.58 28.17 3fyu s HIS 89 CO 0.03 -0.93 1.08 0.20 -2.00 0.00 0.00 174.74 173.11 3fyu s GLY 90 N -4.30 1.64 -0.26 -1.38 0.00 -1.26 -2.67 107.32 99.10 3fyu s GLY 90 Ca 0.56 -0.14 -0.37 0.00 0.00 0.00 0.00 44.72 44.76 3fyu s GLY 90 CO 0.50 0.21 1.93 2.98 0.00 0.00 0.00 173.10 178.72 3fyu n TYR 91 N -3.13 1.98 -1.28 1.90 9.36 -1.26 -0.91 117.16 123.82 3fyu n TYR 91 Ca 0.07 0.31 -0.11 0.00 3.32 0.00 0.00 57.90 61.49 3fyu n TYR 91 Cb 0.55 -2.54 -0.05 0.00 -0.63 0.00 0.00 39.34 36.68 3fyu n TYR 91 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3fyu n ASN 92 N 7.20 -3.43 -1.75 2.98 5.15 -1.26 -4.81 115.26 119.34 3fyu n ASN 92 Ca 0.31 0.28 -0.08 0.00 -0.60 0.00 0.00 54.58 54.49 3fyu n ASN 92 Cb 0.20 -3.08 0.25 0.00 -0.53 0.00 0.00 39.78 36.63 3fyu n ASN 92 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3fyu n ALA 93 N 0.49 4.55 -2.94 5.20 0.00 -0.09 -4.96 120.51 122.76 3fyu n ALA 93 Ca -0.11 -2.62 -0.36 0.00 0.00 0.00 0.00 53.44 50.35 3fyu n ALA 93 Cb 0.41 -1.13 -0.12 0.00 0.00 0.00 0.00 19.45 18.61 3fyu n ALA 93 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3fyu s SER 94 N -1.50 5.34 -0.18 0.00 0.15 -1.26 -4.66 113.70 111.59 3fyu s SER 94 Ca 0.52 -0.13 -0.00 0.00 0.70 0.00 0.00 55.95 57.04 3fyu s SER 94 Cb 0.43 -1.96 0.01 0.00 -1.71 0.00 0.00 66.02 62.79 3fyu s SER 94 CO 0.10 0.00 -0.15 -0.31 1.20 0.00 0.00 173.24 174.08 3fyu s TYR 95 N 1.41 2.82 -1.50 3.44 1.51 -1.26 -4.68 117.35 119.09 3fyu s TYR 95 Ca 0.06 -1.33 -0.13 0.00 -1.01 0.00 0.00 57.07 54.66 3fyu s TYR 95 Cb -0.15 -1.96 0.07 0.00 -0.11 0.00 0.00 41.96 39.82 3fyu s TYR 95 CO 0.04 -0.66 0.93 -0.25 -1.11 0.00 0.00 175.55 174.50 3fyu n ASP 96 N 4.52 -4.97 -0.36 2.29 10.43 -1.26 -1.27 116.55 125.94 3fyu n ASP 96 Ca -0.20 -0.69 -0.05 0.00 2.57 0.00 0.00 54.79 56.43 3fyu n ASP 96 Cb 0.51 -3.97 -0.02 0.00 1.84 0.00 0.00 41.12 39.48 3fyu n ASP 96 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3fyu n GLY 97 N -1.66 0.52 2.47 0.44 0.00 -1.26 -2.59 105.19 103.11 3fyu n GLY 97 Ca 0.03 -0.05 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 3fyu n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fyu n GLY 98 N 0.04 -0.50 0.33 -0.02 0.00 -0.40 -4.66 105.19 99.98 3fyu n GLY 98 Ca -0.05 0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.07 3fyu n GLY 98 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3fyu h ILE 99 N -0.09 0.77 -0.75 -0.61 2.10 -1.72 -1.86 117.51 115.35 3fyu h ILE 99 Ca -0.40 -0.25 -0.02 0.00 1.08 0.00 0.00 64.86 65.27 3fyu h ILE 99 Cb 1.30 -0.04 -0.04 0.00 -1.09 0.00 0.00 36.82 36.95 3fyu h ILE 99 CO 0.47 0.14 0.41 0.45 -1.08 0.00 0.00 178.15 178.53 3fyu h HIS 100 N 0.74 1.03 -0.07 2.19 3.86 -1.88 -0.65 115.15 120.37 3fyu h HIS 100 Ca 0.50 -0.02 -0.21 0.00 -1.16 0.00 0.00 60.37 59.48 3fyu h HIS 100 Cb 0.67 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.81 3fyu h HIS 100 CO -0.05 0.72 -0.82 -0.44 0.86 0.00 0.00 177.93 178.20 3fyu h ASP 101 N 1.05 0.61 0.11 2.45 3.32 -1.75 -2.26 116.42 119.95 3fyu h ASP 101 Ca 0.27 -0.43 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 3fyu h ASP 101 Cb 0.04 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.41 3fyu h ASP 101 CO -0.04 1.20 -0.05 0.40 -1.72 0.00 0.00 179.24 179.02 3fyu h ILE 102 N 0.32 0.90 -0.48 0.35 1.08 -0.96 -0.99 117.51 117.72 3fyu h ILE 102 Ca -0.05 -0.02 0.04 0.00 -0.39 0.00 0.00 64.86 64.43 3fyu h ILE 102 Cb 1.42 0.91 -0.04 0.00 -3.07 0.00 0.00 36.82 36.04 3fyu h ILE 102 CO 0.15 0.01 0.24 0.58 -0.69 0.00 0.00 178.15 178.43 3fyu h VAL 103 N -0.16 0.97 -0.96 1.67 2.07 -1.14 -1.57 116.25 117.13 3fyu h VAL 103 Ca -0.02 -0.16 0.06 0.00 0.82 0.00 0.00 66.70 67.40 3fyu h VAL 103 Cb 0.12 0.45 -0.06 0.00 -1.52 0.00 0.00 31.29 30.28 3fyu h VAL 103 CO 0.03 0.09 0.62 0.78 0.02 0.00 0.00 177.57 179.10 3fyu h ASN 104 N 0.48 0.98 -0.69 0.57 2.35 -1.13 -0.09 115.58 118.05 3fyu h ASN 104 Ca 0.21 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.93 3fyu h ASN 104 Cb 0.11 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 3fyu h ASN 104 CO -0.14 0.63 0.29 -0.50 -1.65 0.00 0.00 177.43 176.05 3fyu h TRP 105 N 1.11 1.05 -0.63 1.19 -0.00 -0.24 -1.56 115.95 116.86 3fyu h TRP 105 Ca 0.41 -0.07 -0.05 0.00 -0.00 0.00 0.00 58.89 59.18 3fyu h TRP 105 Cb 0.18 -0.32 -0.03 0.00 -0.00 0.00 0.00 29.16 28.99 3fyu h TRP 105 CO -0.00 0.80 0.19 0.00 -0.00 0.00 0.00 178.44 179.43 3fyu h ALA 106 N 1.29 0.82 0.00 1.49 0.00 -0.36 -1.56 119.26 120.94 3fyu h ALA 106 Ca 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3fyu h ALA 106 Cb 0.18 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3fyu h ALA 106 CO -0.02 0.49 -0.03 -0.07 0.00 0.00 0.00 179.25 179.62 3fyu h LEU 107 N 0.90 0.00 -0.14 0.00 3.38 -0.33 0.47 115.31 119.59 3fyu h LEU 107 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3fyu h LEU 107 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3fyu h LEU 107 CO -0.01 0.03 -0.00 1.41 0.09 0.00 0.00 178.44 179.96 3fyu n HIS 108 N -3.96 0.00 -0.10 1.13 8.25 -0.64 -4.88 115.22 115.01 3fyu n HIS 108 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 3fyu n HIS 108 Cb 0.11 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.21 3fyu n HIS 108 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fyu n GLY 109 N 1.04 0.94 3.33 -1.41 0.00 0.16 -5.09 105.19 104.17 3fyu n GLY 109 Ca 0.23 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 3fyu n GLY 109 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fyu s TYR 110 N -2.00 2.69 -0.32 1.61 2.02 -0.87 -4.31 117.35 116.18 3fyu s TYR 110 Ca 0.00 -0.70 -0.29 0.00 -0.37 0.00 0.00 57.07 55.71 3fyu s TYR 110 Cb 0.00 -1.76 -0.00 0.00 -0.40 0.00 0.00 41.96 39.80 3fyu s TYR 110 CO 0.00 -0.22 1.42 0.00 -1.57 0.00 0.00 175.55 175.18 3fyu s ALA 111 N 0.17 3.24 -0.10 3.71 0.00 -0.37 -3.17 121.76 125.23 3fyu s ALA 111 Ca -0.10 0.11 0.03 0.00 0.00 0.00 0.00 51.96 52.01 3fyu s ALA 111 Cb -0.16 -3.85 -0.01 0.00 0.00 0.00 0.00 23.12 19.11 3fyu s ALA 111 CO 0.06 -2.02 -0.21 0.99 0.00 0.00 0.00 175.76 174.58 3fyu s THR 112 N 4.94 2.33 -0.18 0.00 2.01 0.62 -0.73 115.64 124.63 3fyu s THR 112 Ca 0.62 -0.93 -0.02 0.00 0.31 0.00 0.00 61.69 61.67 3fyu s THR 112 Cb -0.18 -1.91 -0.01 0.00 0.01 0.00 0.00 72.50 70.42 3fyu s THR 112 CO 0.27 0.55 -0.10 0.12 -0.69 0.00 0.00 174.62 174.78 3fyu s PHE 113 N 0.23 2.88 -0.83 4.92 5.36 0.11 -0.78 117.98 129.86 3fyu s PHE 113 Ca -0.14 -0.88 -0.10 0.00 -0.96 0.00 0.00 56.93 54.84 3fyu s PHE 113 Cb -0.17 -1.97 0.22 0.00 -0.34 0.00 0.00 43.02 40.76 3fyu s PHE 113 CO 0.07 -0.42 0.75 0.20 -1.46 0.00 0.00 175.22 174.35 3fyu s GLY 114 N 0.95 2.74 0.09 13.12 0.00 -0.51 -0.29 107.32 123.42 3fyu s GLY 114 Ca -0.02 -3.42 -0.31 0.00 0.00 0.00 0.00 44.72 40.98 3fyu s GLY 114 CO -0.01 1.23 1.62 -0.29 0.00 0.00 0.00 173.10 175.66 3fyu s MET 115 N -0.18 4.21 -0.17 2.90 1.75 -1.08 -3.60 119.30 123.14 3fyu s MET 115 Ca 0.20 2.32 -0.23 0.00 -1.25 0.00 0.00 55.69 56.74 3fyu s MET 115 Cb -0.12 -3.48 -0.02 0.00 2.84 0.00 0.00 34.83 34.05 3fyu s MET 115 CO -0.08 -0.69 0.71 -0.51 -0.65 0.00 0.00 175.02 173.80 3fyu s LEU 116 N 2.22 4.18 0.05 4.11 1.43 0.24 -4.37 118.68 126.55 3fyu s LEU 116 Ca 0.72 1.01 -0.31 0.00 -1.03 0.00 0.00 54.13 54.53 3fyu s LEU 116 Cb -0.40 -3.04 -0.07 0.00 0.03 0.00 0.00 46.19 42.71 3fyu s LEU 116 CO 0.32 -0.29 1.38 -0.69 0.23 0.00 0.00 176.35 177.30 3fyu s VAL 117 N 1.79 3.56 -0.10 -1.59 1.01 -1.26 -4.41 120.40 119.41 3fyu s VAL 117 Ca 0.33 1.05 -0.16 0.00 0.00 0.00 0.00 61.98 63.21 3fyu s VAL 117 Cb -0.16 -3.68 -0.07 0.00 0.00 0.00 0.00 36.38 32.47 3fyu s VAL 117 CO 0.12 0.04 0.50 0.54 0.00 0.00 0.00 175.10 176.30 3fyu n ARG 118 N 4.65 0.00 -0.22 2.72 1.74 -1.24 -0.33 116.66 123.97 3fyu n ARG 118 Ca 0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 3fyu n ARG 118 Cb 0.43 -0.55 0.00 0.00 -1.02 0.00 0.00 32.46 31.33 3fyu n ARG 118 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fyu n GLY 119 N 1.04 0.49 0.00 -0.13 0.00 -1.03 -4.80 105.19 100.75 3fyu n GLY 119 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3fyu n GLY 119 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3fyu n GLN 120 N -2.00 0.00 0.15 1.61 6.02 0.55 -4.76 117.38 118.96 3fyu n GLN 120 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.12 3fyu n GLN 120 Cb 0.00 0.00 0.49 0.00 1.02 0.00 0.00 30.24 31.75 3fyu n GLN 120 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3fyu h GLY 121 N 0.00 0.00 0.00 1.08 0.00 -1.84 -3.48 103.07 98.83 3fyu h GLY 121 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3fyu h GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3fyu n GLY 122 N 0.37 -0.65 0.63 4.60 0.00 -1.26 -4.54 105.19 104.34 3fyu n GLY 122 Ca 0.03 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.95 3fyu n GLY 122 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3fyu n SER 123 N 0.47 -3.45 -4.86 1.61 7.64 -1.26 -2.53 113.62 111.24 3fyu n SER 123 Ca 0.00 0.72 -0.34 0.00 1.01 0.00 0.00 58.87 60.26 3fyu n SER 123 Cb 0.00 -1.41 -0.06 0.00 -1.01 0.00 0.00 64.21 61.74 3fyu n SER 123 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3fyu s GLU 124 N -4.63 3.91 -0.30 1.43 2.12 0.05 -2.47 118.70 118.81 3fyu s GLU 124 Ca 0.00 0.41 0.01 0.00 0.36 0.00 0.00 54.97 55.74 3fyu s GLU 124 Cb 0.00 -2.80 0.09 0.00 0.26 0.00 0.00 34.13 31.68 3fyu s GLU 124 CO 0.00 0.40 0.05 0.34 -0.54 0.00 0.00 175.26 175.52 3fyu s ASP 125 N -2.00 4.11 0.13 -1.70 -1.08 -1.26 -4.43 116.67 110.45 3fyu s ASP 125 Ca 0.42 -1.63 0.27 0.00 -0.52 0.00 0.00 52.55 51.09 3fyu s ASP 125 Cb -0.13 -1.10 0.84 0.00 -1.46 0.00 0.00 42.92 41.07 3fyu s ASP 125 CO 0.20 -0.37 1.73 0.35 0.52 0.00 0.00 175.17 177.61 3fyu n THR 126 N 4.68 0.37 -1.82 1.71 -2.24 -1.26 -4.86 114.28 110.85 3fyu n THR 126 Ca -0.03 -0.19 -0.42 0.00 -2.27 0.00 0.00 64.05 61.14 3fyu n THR 126 Cb 0.43 -0.45 -0.02 0.00 -2.10 0.00 0.00 70.33 68.18 3fyu n THR 126 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3fyu s SER 127 N -3.99 6.46 0.70 3.42 1.04 -1.26 -4.97 113.70 115.09 3fyu s SER 127 Ca 0.11 2.81 -0.11 0.00 0.48 0.00 0.00 55.95 59.24 3fyu s SER 127 Cb 0.15 -2.61 0.01 0.00 0.10 0.00 0.00 66.02 63.66 3fyu s SER 127 CO 0.60 -0.89 1.07 -0.69 0.98 0.00 0.00 173.24 174.31 3fyu s VAL 128 N 0.65 3.88 -0.54 5.02 1.01 -1.26 -5.01 120.40 124.15 3fyu s VAL 128 Ca 0.68 0.64 -0.17 0.00 0.00 0.00 0.00 61.98 63.14 3fyu s VAL 128 Cb -0.47 -3.32 0.11 0.00 0.00 0.00 0.00 36.38 32.70 3fyu s VAL 128 CO 0.38 -0.77 0.55 -0.89 0.00 0.00 0.00 175.10 174.38 3fyu s THR 129 N -2.95 5.08 0.22 3.92 2.01 -1.26 -4.85 115.64 117.82 3fyu s THR 129 Ca 0.59 -1.20 -0.09 0.00 0.31 0.00 0.00 61.69 61.29 3fyu s THR 129 Cb -0.15 -4.34 0.22 0.00 0.01 0.00 0.00 72.50 68.24 3fyu s THR 129 CO 0.53 -0.89 1.66 -0.65 -0.69 0.00 0.00 174.62 174.58 3fyu h PRO 130 N 8.96 0.12 0.00 4.92 0.11 -1.95 -3.47 132.00 140.69 3fyu h PRO 130 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3fyu h PRO 130 Cb 1.10 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3fyu h PRO 130 CO 1.02 0.08 0.00 0.41 -0.21 0.00 0.00 178.00 179.30 3fyu n GLY 131 N -1.38 3.07 3.77 -0.55 0.00 -1.26 -5.11 105.19 103.73 3fyu n GLY 131 Ca 0.10 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 3fyu n GLY 131 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fyu s GLY 132 N -0.02 2.50 0.24 -0.02 0.00 -1.26 -4.81 107.32 103.94 3fyu s GLY 132 Ca 0.00 0.79 -0.19 0.00 0.00 0.00 0.00 44.72 45.32 3fyu s GLY 132 CO 0.00 1.15 0.61 -2.38 0.00 0.00 0.00 173.10 172.49 3fyu s HIS 133 N -1.91 -0.13 0.47 1.90 -0.00 -1.26 -4.88 115.29 109.48 3fyu s HIS 133 Ca 0.72 -0.25 -0.21 0.00 -0.00 0.00 0.00 55.06 55.32 3fyu s HIS 133 Cb -0.25 0.52 -0.08 0.00 -0.00 0.00 0.00 32.58 32.77 3fyu s HIS 133 CO 0.33 -1.07 1.05 0.00 -0.00 0.00 0.00 174.74 175.05 3fyu s ALA 134 N -3.90 2.92 -0.32 -1.38 0.00 -1.26 -4.91 121.76 112.91 3fyu s ALA 134 Ca 0.11 0.64 -0.41 0.00 0.00 0.00 0.00 51.96 52.30 3fyu s ALA 134 Cb -0.03 -3.26 -0.17 0.00 0.00 0.00 0.00 23.12 19.66 3fyu s ALA 134 CO 0.02 -0.31 1.71 -0.11 0.00 0.00 0.00 175.76 177.07 3fyu n LEU 135 N -0.77 2.13 0.00 0.00 0.00 -1.26 -4.63 117.00 112.47 3fyu n LEU 135 Ca 0.08 1.10 0.00 0.00 0.00 0.00 0.00 56.01 57.19 3fyu n LEU 135 Cb 0.52 -1.09 0.00 0.00 0.00 0.00 0.00 43.42 42.85 3fyu n LEU 135 CO 0.41 -0.53 0.00 0.61 0.00 0.00 0.00 177.39 177.88 3fyu n GLY 136 N 4.12 0.78 0.08 -3.96 0.00 -1.26 -4.89 105.19 100.05 3fyu n GLY 136 Ca 0.27 -2.18 -0.04 0.00 0.00 0.00 0.00 46.02 44.07 3fyu n GLY 136 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3fyu n TRP 137 N 0.29 0.22 -0.41 1.61 8.01 -1.26 -4.49 117.44 121.41 3fyu n TRP 137 Ca 0.00 0.08 0.36 0.00 -1.31 0.00 0.00 57.50 56.63 3fyu n TRP 137 Cb 0.00 -0.91 0.70 0.00 -2.01 0.00 0.00 31.31 29.08 3fyu n TRP 137 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.69 177.20 3fyu h MET 138 N 0.00 0.09 -0.12 -0.99 2.86 -1.90 -1.51 114.93 113.37 3fyu h MET 138 Ca -0.35 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.29 3fyu h MET 138 Cb 1.85 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 33.49 3fyu h MET 138 CO 0.03 0.06 0.00 0.25 1.06 0.00 0.00 176.91 178.31 3fyu n THR 139 N -4.32 0.64 -1.76 2.22 -2.24 -1.26 -4.88 114.28 102.68 3fyu n THR 139 Ca 0.31 -0.82 -0.42 0.00 -2.27 0.00 0.00 64.05 60.85 3fyu n THR 139 Cb 1.34 0.73 -0.03 0.00 -2.10 0.00 0.00 70.33 70.27 3fyu n THR 139 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3fyu s LYS 140 N -0.81 4.15 -1.68 -0.78 2.20 -0.57 -1.83 119.74 120.43 3fyu s LYS 140 Ca 0.10 2.51 0.00 0.00 -0.36 0.00 0.00 55.97 58.22 3fyu s LYS 140 Cb 0.06 -4.03 0.00 0.00 -1.51 0.00 0.00 37.83 32.35 3fyu s LYS 140 CO 0.08 -0.91 0.00 0.41 -0.36 0.00 0.00 175.35 174.57 3fyu n GLY 141 N 4.40 0.07 0.00 5.54 0.00 -1.26 -1.99 105.19 111.95 3fyu n GLY 141 Ca 0.19 -0.10 0.07 0.00 0.00 0.00 0.00 46.02 46.17 3fyu n GLY 141 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3fyu n ILE 142 N -3.68 0.77 1.47 -0.61 3.06 -0.76 -2.26 119.36 117.35 3fyu n ILE 142 Ca -0.21 0.19 0.04 0.00 -2.50 0.00 0.00 62.75 60.27 3fyu n ILE 142 Cb 0.66 -0.96 0.15 0.00 0.54 0.00 0.00 39.64 40.03 3fyu n ILE 142 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 3fyu n LEU 143 N -1.37 0.93 -3.64 9.51 4.77 -1.26 -4.27 117.00 121.67 3fyu n LEU 143 Ca 0.05 -0.45 -0.05 0.00 -0.03 0.00 0.00 56.01 55.53 3fyu n LEU 143 Cb 0.13 -0.11 -0.07 0.00 -2.33 0.00 0.00 43.42 41.05 3fyu n LEU 143 CO 0.12 0.23 0.57 -0.55 -1.33 0.00 0.00 177.39 176.42 3fyu s SER 144 N -1.10 -0.65 0.53 -1.43 0.15 -1.16 -4.92 113.70 105.11 3fyu s SER 144 Ca 0.15 1.06 0.19 0.00 0.70 0.00 0.00 55.95 58.06 3fyu s SER 144 Cb 0.08 1.24 1.37 0.00 -1.71 0.00 0.00 66.02 67.00 3fyu s SER 144 CO 0.11 -0.17 2.14 0.07 1.20 0.00 0.00 173.24 176.59 3fyu h LYS 145 N 6.10 0.00 0.00 5.44 2.10 -1.86 -0.56 116.57 127.79 3fyu h LYS 145 Ca -0.29 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.23 3fyu h LYS 145 Cb 1.20 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.51 3fyu h LYS 145 CO 0.17 0.00 -0.63 -0.44 -2.00 0.00 0.00 179.45 176.55 3fyu h ASP 146 N 0.00 0.00 0.00 7.07 3.32 -1.96 -3.27 116.42 121.58 3fyu h ASP 146 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3fyu h ASP 146 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3fyu h ASP 146 CO -0.00 0.63 -1.16 0.35 -1.72 0.00 0.00 179.24 177.33 3fyu n THR 147 N -3.77 0.00 -1.68 0.35 -2.24 -0.68 -4.97 114.28 101.29 3fyu n THR 147 Ca -0.01 -0.08 -0.45 0.00 -2.27 0.00 0.00 64.05 61.24 3fyu n THR 147 Cb 0.63 0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 69.66 3fyu n THR 147 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fyu n TYR 148 N -1.63 2.32 -0.30 4.78 9.36 -0.31 -4.45 117.16 126.94 3fyu n TYR 148 Ca 0.03 0.33 0.06 0.00 3.32 0.00 0.00 57.90 61.63 3fyu n TYR 148 Cb 0.37 -2.52 0.15 0.00 -0.63 0.00 0.00 39.34 36.71 3fyu n TYR 148 CO 0.00 0.00 0.00 -0.92 0.22 0.00 0.00 176.86 176.16 3fyu h TYR 149 N 5.07 -0.32 0.00 2.98 3.20 -1.66 -0.94 116.97 125.31 3fyu h TYR 149 Ca -0.45 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.49 3fyu h TYR 149 Cb 1.26 0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.80 3fyu h TYR 149 CO 0.59 -0.36 0.00 0.66 -1.64 0.00 0.00 178.16 177.42 3fyu n TYR 150 N -5.51 0.53 -0.01 -3.82 4.01 -1.26 -3.00 117.16 108.10 3fyu n TYR 150 Ca 0.15 0.21 -0.12 0.00 -0.16 0.00 0.00 57.90 57.98 3fyu n TYR 150 Cb 0.49 -0.84 -0.06 0.00 -0.31 0.00 0.00 39.34 38.62 3fyu n TYR 150 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3fyu h ARG 151 N 0.00 0.14 -0.62 -0.72 2.43 -1.47 0.28 114.38 114.42 3fyu h ARG 151 Ca 0.00 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 3fyu h ARG 151 Cb 0.33 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 3fyu h ARG 151 CO 0.00 0.24 0.03 0.78 -1.51 0.00 0.00 179.97 179.51 3fyu h GLY 152 N -0.00 1.15 0.91 2.80 0.00 -1.67 -2.16 103.07 104.10 3fyu h GLY 152 Ca 0.03 -0.81 -0.03 0.00 0.00 0.00 0.00 47.33 46.52 3fyu h GLY 152 CO -0.00 0.75 0.09 -2.08 0.00 0.00 0.00 176.54 175.30 3fyu h VAL 153 N 0.98 1.21 -0.85 4.60 2.07 -1.47 0.14 116.25 122.93 3fyu h VAL 153 Ca 0.18 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 67.00 3fyu h VAL 153 Cb 0.52 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 3fyu h VAL 153 CO 0.03 0.24 0.55 1.88 0.02 0.00 0.00 177.57 180.29 3fyu h TYR 154 N 0.38 1.07 -0.28 1.57 -1.99 -0.35 -0.99 116.97 116.38 3fyu h TYR 154 Ca 0.11 0.02 -0.11 0.00 2.00 0.00 0.00 58.73 60.74 3fyu h TYR 154 Cb 0.27 -0.36 -0.01 0.00 2.00 0.00 0.00 36.73 38.63 3fyu h TYR 154 CO 0.01 0.69 -0.29 -0.07 -0.00 0.00 0.00 178.16 178.49 3fyu h LEU 155 N 1.15 0.59 -1.29 3.88 3.38 -1.11 -2.16 115.31 119.76 3fyu h LEU 155 Ca 0.31 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3fyu h LEU 155 Cb -0.12 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 3fyu h LEU 155 CO -0.07 0.86 0.06 0.44 0.09 0.00 0.00 178.44 179.82 3fyu h ASP 156 N 0.50 0.50 -0.05 -0.43 3.32 0.09 -0.30 116.42 120.04 3fyu h ASP 156 Ca 0.06 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 3fyu h ASP 156 Cb 0.76 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.18 3fyu h ASP 156 CO 0.06 0.53 0.02 0.00 -1.72 0.00 0.00 179.24 178.13 3fyu h ALA 157 N 1.54 0.07 -0.31 3.45 0.00 -0.62 0.10 119.26 123.49 3fyu h ALA 157 Ca 0.12 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3fyu h ALA 157 Cb 0.25 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3fyu h ALA 157 CO 0.00 -0.34 0.19 0.28 0.00 0.00 0.00 179.25 179.37 3fyu h VAL 158 N -0.08 1.12 -0.55 0.00 2.07 -0.98 -2.38 116.25 115.44 3fyu h VAL 158 Ca 0.02 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 3fyu h VAL 158 Cb 0.17 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3fyu h VAL 158 CO -0.00 0.11 0.31 -0.09 0.02 0.00 0.00 177.57 177.92 3fyu h ARG 159 N 0.40 0.75 -0.74 1.57 9.65 -0.92 -1.45 114.38 123.66 3fyu h ARG 159 Ca 0.11 -0.07 0.05 0.00 -1.10 0.00 0.00 59.98 58.98 3fyu h ARG 159 Cb 0.02 -0.16 -0.05 0.00 -1.39 0.00 0.00 29.97 28.39 3fyu h ARG 159 CO -0.02 0.55 0.44 0.00 2.80 0.00 0.00 179.97 183.74 3fyu h ALA 160 N 1.58 0.99 -0.54 2.80 0.00 -0.29 0.20 119.26 124.00 3fyu h ALA 160 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 3fyu h ALA 160 Cb 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3fyu h ALA 160 CO -0.03 0.16 -0.09 -0.07 0.00 0.00 0.00 179.25 179.21 3fyu h LEU 161 N 0.81 1.00 -1.06 0.00 3.38 -0.99 -0.99 115.31 117.46 3fyu h LEU 161 Ca 0.32 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3fyu h LEU 161 Cb 0.15 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3fyu h LEU 161 CO -0.16 1.11 -0.17 -0.33 0.09 0.00 0.00 178.44 178.97 3fyu h GLU 162 N 0.90 0.47 -0.02 1.13 5.08 -0.50 -0.89 114.58 120.75 3fyu h GLU 162 Ca 0.14 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 3fyu h GLU 162 Cb 0.65 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3fyu h GLU 162 CO 0.05 0.63 -0.25 0.28 -1.00 0.00 0.00 179.01 178.71 3fyu h VAL 163 N 0.43 1.50 -0.13 3.13 2.07 -0.80 -2.99 116.25 119.46 3fyu h VAL 163 Ca 0.07 -1.83 0.00 0.00 0.82 0.00 0.00 66.70 65.77 3fyu h VAL 163 Cb 0.54 2.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 3fyu h VAL 163 CO 0.04 0.51 0.09 0.40 0.02 0.00 0.00 177.57 178.62 3fyu h ILE 164 N -0.40 1.03 0.00 4.57 1.08 -1.09 -2.54 117.51 120.17 3fyu h ILE 164 Ca -0.03 -0.06 -0.00 0.00 -0.39 0.00 0.00 64.86 64.38 3fyu h ILE 164 Cb 0.96 0.85 -0.00 0.00 -3.07 0.00 0.00 36.82 35.56 3fyu h ILE 164 CO 0.05 0.03 -0.02 -0.61 -0.69 0.00 0.00 178.15 176.92 3fyu h GLN 165 N 0.17 0.00 0.00 2.37 4.15 -1.27 -1.05 115.11 119.49 3fyu h GLN 165 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.47 3fyu h GLN 165 Cb -0.02 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.67 3fyu h GLN 165 CO -0.01 0.02 0.00 -1.13 -1.93 0.00 0.00 178.83 175.78 3fyu n SER 166 N -4.46 0.54 -4.74 -0.69 3.41 -0.96 -4.61 113.62 102.11 3fyu n SER 166 Ca -0.03 0.60 -0.41 0.00 -0.26 0.00 0.00 58.87 58.77 3fyu n SER 166 Cb 0.10 -0.73 -0.03 0.00 -0.26 0.00 0.00 64.21 63.30 3fyu n SER 166 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3fyu s PHE 167 N -3.18 3.27 0.18 7.33 0.08 -0.40 -4.94 117.98 120.32 3fyu s PHE 167 Ca 0.07 1.30 -0.12 0.00 0.12 0.00 0.00 56.93 58.30 3fyu s PHE 167 Cb 0.11 -3.57 0.08 0.00 -0.57 0.00 0.00 43.02 39.07 3fyu s PHE 167 CO 0.44 -1.71 1.74 -1.00 -0.10 0.00 0.00 175.22 174.58 3fyu h PRO 168 N 5.03 0.91 0.00 0.24 0.13 -1.88 -2.49 132.00 133.95 3fyu h PRO 168 Ca -0.45 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 3fyu h PRO 168 Cb 1.22 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3fyu h PRO 168 CO 0.75 0.77 0.00 -0.85 -0.23 0.00 0.00 178.00 178.44 3fyu n GLU 169 N -4.46 0.58 -4.42 0.86 0.00 -1.26 -4.68 120.64 107.26 3fyu n GLU 169 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 57.16 56.86 3fyu n GLU 169 Cb 0.16 -1.38 -0.13 0.00 0.00 0.00 0.00 31.44 30.09 3fyu n GLU 169 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 3fyu s VAL 170 N -2.00 3.73 -0.86 3.84 1.01 -0.94 -0.15 120.40 125.04 3fyu s VAL 170 Ca 0.21 -0.41 -0.24 0.00 0.00 0.00 0.00 61.98 61.54 3fyu s VAL 170 Cb 0.10 -2.63 0.05 0.00 0.00 0.00 0.00 36.38 33.89 3fyu s VAL 170 CO 0.16 0.49 1.30 -0.62 0.00 0.00 0.00 175.10 176.43 3fyu s ASP 171 N 0.45 6.33 0.63 3.32 -1.08 0.12 -4.79 116.67 121.66 3fyu s ASP 171 Ca -0.04 -1.03 0.23 0.00 -0.52 0.00 0.00 52.55 51.18 3fyu s ASP 171 Cb -0.14 -2.53 1.12 0.00 -1.46 0.00 0.00 42.92 39.90 3fyu s ASP 171 CO 0.03 -1.60 1.61 1.05 0.52 0.00 0.00 175.17 176.78 3fyu h GLU 172 N 9.79 0.00 -0.01 4.34 4.11 -1.87 0.23 114.58 131.17 3fyu h GLU 172 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.37 3fyu h GLU 172 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 3fyu h GLU 172 CO 1.31 0.00 -0.06 0.72 0.07 0.00 0.00 179.01 181.05 3fyu n HIS 173 N -3.08 0.00 -2.86 2.06 8.25 -1.26 -4.18 115.22 114.15 3fyu n HIS 173 Ca 0.05 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.33 3fyu n HIS 173 Cb 0.78 -0.05 -0.01 0.00 1.12 0.00 0.00 29.99 31.84 3fyu n HIS 173 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3fyu n ARG 174 N -0.29 1.89 -4.18 -0.41 1.74 0.79 -4.83 116.66 111.37 3fyu n ARG 174 Ca 0.18 -3.83 -0.34 0.00 -0.77 0.00 0.00 57.85 53.09 3fyu n ARG 174 Cb 0.31 -1.77 -0.12 0.00 -1.02 0.00 0.00 32.46 29.86 3fyu n ARG 174 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3fyu s ILE 175 N -3.57 4.11 0.16 0.55 1.01 -1.26 0.25 121.20 122.46 3fyu s ILE 175 Ca 0.39 -0.27 0.09 0.00 0.00 0.00 0.00 60.65 60.87 3fyu s ILE 175 Cb 0.38 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 3fyu s ILE 175 CO -0.08 0.46 -0.15 -0.83 0.00 0.00 0.00 174.94 174.34 3fyu s GLY 176 N 0.65 1.72 -0.14 6.18 0.00 0.28 0.21 107.32 116.21 3fyu s GLY 176 Ca -0.00 -1.47 0.01 0.00 0.00 0.00 0.00 44.72 43.26 3fyu s GLY 176 CO 0.02 -1.48 -0.18 -1.34 0.00 0.00 0.00 173.10 170.11 3fyu s VAL 177 N -1.54 2.43 0.13 1.40 -7.23 -0.91 -0.64 120.40 114.04 3fyu s VAL 177 Ca 0.22 -0.86 0.01 0.00 -1.81 0.00 0.00 61.98 59.54 3fyu s VAL 177 Cb -0.09 -2.00 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 3fyu s VAL 177 CO 0.13 0.53 -0.00 0.27 -0.31 0.00 0.00 175.10 175.72 3fyu s ILE 178 N 0.69 0.48 0.00 -0.62 -4.36 -0.88 -1.31 121.20 115.19 3fyu s ILE 178 Ca -0.09 -1.93 0.00 0.00 -0.26 0.00 0.00 60.65 58.37 3fyu s ILE 178 Cb -0.16 -1.94 0.00 0.00 1.25 0.00 0.00 42.46 41.61 3fyu s ILE 178 CO 0.01 -0.62 0.00 0.61 0.24 0.00 0.00 174.94 175.19 3fyu n GLY 179 N -0.12 2.31 3.39 6.27 0.00 -0.89 -0.92 105.19 115.23 3fyu n GLY 179 Ca -0.08 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 3fyu n GLY 179 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fyu s GLY 180 N 0.00 1.53 0.00 -0.02 0.00 -1.24 -1.03 107.32 106.55 3fyu s GLY 180 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 43.35 3fyu s GLY 180 CO 0.00 -1.30 0.00 -1.26 0.00 0.00 0.00 173.10 170.54 3fyu n SER 181 N 1.27 0.00 -0.25 1.64 2.88 0.92 -0.26 113.62 119.82 3fyu n SER 181 Ca -0.17 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.31 3fyu n SER 181 Cb 0.52 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.03 3fyu n SER 181 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 3fyu h GLN 182 N 0.00 0.94 -0.36 -1.46 4.15 -1.85 0.29 115.11 116.83 3fyu h GLN 182 Ca 0.00 -0.10 -0.02 0.00 0.77 0.00 0.00 58.65 59.31 3fyu h GLN 182 Cb 0.00 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.48 3fyu h GLN 182 CO 0.00 0.69 0.16 0.78 -1.93 0.00 0.00 178.83 178.53 3fyu h GLY 183 N 0.94 0.54 1.54 2.39 0.00 -0.40 -0.15 103.07 107.93 3fyu h GLY 183 Ca 0.24 -0.24 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 3fyu h GLY 183 CO -0.04 0.23 -0.49 -1.33 0.00 0.00 0.00 176.54 174.91 3fyu h GLY 184 N 0.64 0.53 1.33 4.60 0.00 -1.17 -1.74 103.07 107.25 3fyu h GLY 184 Ca 0.13 -0.58 -0.16 0.00 0.00 0.00 0.00 47.33 46.72 3fyu h GLY 184 CO -0.02 0.52 -0.49 0.00 0.00 0.00 0.00 176.54 176.56 3fyu h ALA 185 N 1.08 0.64 -0.57 3.60 0.00 -0.54 -2.04 119.26 121.43 3fyu h ALA 185 Ca 0.02 -0.49 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 3fyu h ALA 185 Cb 1.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3fyu h ALA 185 CO 0.09 0.68 -0.04 -0.07 0.00 0.00 0.00 179.25 179.91 3fyu h LEU 186 N 0.57 1.02 -0.22 0.00 3.38 -0.93 0.22 115.31 119.35 3fyu h LEU 186 Ca 0.03 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.69 3fyu h LEU 186 Cb 1.05 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 3fyu h LEU 186 CO 0.10 1.10 0.11 0.00 0.09 0.00 0.00 178.44 179.84 3fyu h ALA 187 N 0.96 0.26 -0.24 1.53 0.00 -1.17 0.37 119.26 120.97 3fyu h ALA 187 Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3fyu h ALA 187 Cb 0.60 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3fyu h ALA 187 CO 0.04 -0.29 -0.00 0.82 0.00 0.00 0.00 179.25 179.81 3fyu h ILE 188 N 0.24 1.26 -0.58 0.00 2.04 -1.22 -0.90 117.51 118.34 3fyu h ILE 188 Ca 0.09 -0.90 0.03 0.00 1.00 0.00 0.00 64.86 65.08 3fyu h ILE 188 Cb 0.01 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 3fyu h ILE 188 CO -0.05 0.28 0.35 0.00 0.00 0.00 0.00 178.15 178.73 3fyu h ALA 189 N 0.81 0.75 -0.37 1.87 0.00 -0.31 -0.80 119.26 121.21 3fyu h ALA 189 Ca 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3fyu h ALA 189 Cb 0.41 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3fyu h ALA 189 CO 0.01 0.07 0.18 0.00 0.00 0.00 0.00 179.25 179.51 3fyu h ALA 190 N 1.26 0.47 0.00 0.00 0.00 -0.14 -0.69 119.26 120.17 3fyu h ALA 190 Ca 0.24 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3fyu h ALA 190 Cb 0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3fyu h ALA 190 CO -0.11 0.03 -0.10 0.00 0.00 0.00 0.00 179.25 179.07 3fyu h ALA 191 N 1.04 1.15 0.08 0.00 0.00 -0.79 0.19 119.26 120.93 3fyu h ALA 191 Ca 0.13 -0.09 -0.27 0.00 0.00 0.00 0.00 54.91 54.68 3fyu h ALA 191 Cb 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3fyu h ALA 191 CO -0.02 0.13 -1.29 0.00 0.00 0.00 0.00 179.25 178.07 3fyu h ALA 192 N 1.90 0.27 0.00 0.00 0.00 -0.45 -3.32 119.26 117.66 3fyu h ALA 192 Ca -0.00 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 53.91 3fyu h ALA 192 Cb 0.39 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3fyu h ALA 192 CO 0.01 1.15 -0.69 1.28 0.00 0.00 0.00 179.25 181.01 3fyu n LEU 193 N -3.42 0.64 -3.84 0.00 4.77 -0.33 -4.73 117.00 110.10 3fyu n LEU 193 Ca -0.09 -0.12 -0.12 0.00 -0.03 0.00 0.00 56.01 55.65 3fyu n LEU 193 Cb 1.01 -0.17 -0.13 0.00 -2.33 0.00 0.00 43.42 41.80 3fyu n LEU 193 CO 0.50 0.14 -0.23 -0.55 -1.33 0.00 0.00 177.39 175.93 3fyu s SER 194 N -3.14 -0.10 -0.08 -1.43 0.15 0.64 -5.02 113.70 104.72 3fyu s SER 194 Ca 0.09 0.19 0.18 0.00 0.70 0.00 0.00 55.95 57.11 3fyu s SER 194 Cb 0.17 0.24 0.66 0.00 -1.71 0.00 0.00 66.02 65.37 3fyu s SER 194 CO 0.75 -0.07 1.55 -0.90 1.20 0.00 0.00 173.24 175.77 3fyu n ASP 195 N 2.85 4.26 -0.08 5.45 3.85 -1.26 -4.31 116.55 127.31 3fyu n ASP 195 Ca -0.13 -2.30 -0.12 0.00 -0.71 0.00 0.00 54.79 51.52 3fyu n ASP 195 Cb 0.59 -0.53 -0.05 0.00 -1.35 0.00 0.00 41.12 39.78 3fyu n ASP 195 CO 0.00 0.00 0.00 0.40 -1.01 0.00 0.00 177.20 176.59 3fyu h ILE 196 N 3.88 1.30 -3.87 2.12 2.04 -1.92 -3.44 117.51 117.62 3fyu h ILE 196 Ca 0.00 -1.20 -0.53 0.00 1.00 0.00 0.00 64.86 64.14 3fyu h ILE 196 Cb 1.25 1.56 0.08 0.00 -0.74 0.00 0.00 36.82 38.96 3fyu h ILE 196 CO 0.16 0.37 0.68 -2.84 0.00 0.00 0.00 178.15 176.53 3fyu s PRO 197 N -4.59 4.29 -0.16 2.37 0.02 -1.26 -4.66 135.00 131.00 3fyu s PRO 197 Ca -0.13 2.32 -0.16 0.00 0.02 0.00 0.00 61.00 63.04 3fyu s PRO 197 Cb 0.07 -3.05 -0.23 0.00 0.02 0.00 0.00 34.50 31.32 3fyu s PRO 197 CO 0.78 -0.29 0.31 -0.22 -0.33 0.00 0.00 177.00 177.25 3fyu h LYS 198 N 3.37 0.12 -5.12 5.54 3.64 -0.54 -3.46 116.57 120.13 3fyu h LYS 198 Ca -0.49 -0.21 -0.35 0.00 -1.27 0.00 0.00 60.65 58.32 3fyu h LYS 198 Cb 1.23 0.08 -0.14 0.00 -0.41 0.00 0.00 32.23 32.98 3fyu h LYS 198 CO 0.66 1.10 -0.70 0.14 -2.27 0.00 0.00 179.45 178.38 3fyu s VAL 199 N -2.44 1.18 -0.05 2.00 -7.23 -1.24 -3.71 120.40 108.91 3fyu s VAL 199 Ca -0.25 -2.07 0.02 0.00 -1.81 0.00 0.00 61.98 57.87 3fyu s VAL 199 Cb 0.06 -2.03 0.02 0.00 0.56 0.00 0.00 36.38 34.99 3fyu s VAL 199 CO 0.68 -0.60 -0.07 -0.69 -0.31 0.00 0.00 175.10 174.11 3fyu s VAL 200 N -3.33 0.74 -0.20 1.32 1.01 -0.29 -2.14 120.40 117.51 3fyu s VAL 200 Ca 0.21 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.94 3fyu s VAL 200 Cb 0.03 -0.71 0.04 0.00 0.00 0.00 0.00 36.38 35.75 3fyu s VAL 200 CO 0.04 0.26 -0.10 -0.69 0.00 0.00 0.00 175.10 174.61 3fyu s VAL 201 N 0.72 1.59 -0.18 2.92 1.01 -0.43 -0.00 120.40 126.02 3fyu s VAL 201 Ca -0.11 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 60.89 3fyu s VAL 201 Cb -0.14 -1.68 0.03 0.00 0.00 0.00 0.00 36.38 34.59 3fyu s VAL 201 CO 0.01 0.15 -0.12 0.00 0.00 0.00 0.00 175.10 175.14 3fyu s ALA 202 N 1.42 1.98 -0.20 5.51 0.00 0.22 -2.09 121.76 128.61 3fyu s ALA 202 Ca -0.01 -1.10 -0.24 0.00 0.00 0.00 0.00 51.96 50.61 3fyu s ALA 202 Cb -0.16 -1.19 -0.01 0.00 0.00 0.00 0.00 23.12 21.75 3fyu s ALA 202 CO -0.08 -0.63 0.78 -0.51 0.00 0.00 0.00 175.76 175.32 3fyu s ASP 203 N 1.42 6.85 -0.21 0.00 1.11 -0.19 -2.21 116.67 123.43 3fyu s ASP 203 Ca 0.01 1.05 -0.01 0.00 0.18 0.00 0.00 52.55 53.79 3fyu s ASP 203 Cb -0.15 -2.42 0.00 0.00 1.07 0.00 0.00 42.92 41.42 3fyu s ASP 203 CO -0.09 -0.40 0.15 0.00 1.18 0.00 0.00 175.17 176.00 3fyu n TYR 204 N 5.42 -0.49 -1.63 4.23 0.18 0.49 -0.05 117.16 125.31 3fyu n TYR 204 Ca 0.03 0.19 -0.44 0.00 1.88 0.00 0.00 57.90 59.56 3fyu n TYR 204 Cb 0.49 -0.68 -0.01 0.00 -0.38 0.00 0.00 39.34 38.75 3fyu n TYR 204 CO 0.00 0.00 0.00 -0.35 -2.08 0.00 0.00 176.86 174.43 3fyu n PRO 205 N -1.10 1.62 -0.66 -3.48 -0.04 -1.26 -2.94 135.00 127.15 3fyu n PRO 205 Ca -0.08 0.57 0.00 0.00 -0.04 0.00 0.00 63.50 63.95 3fyu n PRO 205 Cb 0.17 -2.03 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 3fyu n PRO 205 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 3fyu n TYR 206 N 0.45 -3.01 -4.13 0.54 9.36 0.96 -4.64 117.16 116.68 3fyu n TYR 206 Ca 0.09 0.00 -0.31 0.00 3.32 0.00 0.00 57.90 60.99 3fyu n TYR 206 Cb 0.33 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.00 3fyu n TYR 206 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3fyu n LEU 207 N 0.00 -1.81 -3.98 2.98 4.77 -1.26 -4.56 117.00 113.13 3fyu n LEU 207 Ca 0.00 -1.05 -0.22 0.00 -0.03 0.00 0.00 56.01 54.71 3fyu n LEU 207 Cb 0.00 -2.07 -0.16 0.00 -2.33 0.00 0.00 43.42 38.85 3fyu n LEU 207 CO 0.00 0.36 -0.45 -0.55 -1.33 0.00 0.00 177.39 175.43 3fyu s SER 208 N -3.86 1.43 -1.25 -1.43 0.15 -1.26 -1.53 113.70 105.95 3fyu s SER 208 Ca 0.36 -0.23 -0.05 0.00 0.70 0.00 0.00 55.95 56.73 3fyu s SER 208 Cb -0.20 -0.62 -0.01 0.00 -1.71 0.00 0.00 66.02 63.49 3fyu s SER 208 CO 0.92 0.02 0.72 -3.20 1.20 0.00 0.00 173.24 172.90 3fyu n ASN 209 N 3.77 -2.51 -0.26 5.45 5.15 -1.26 -4.65 115.26 120.94 3fyu n ASN 209 Ca -0.23 -0.86 0.02 0.00 -0.60 0.00 0.00 54.58 52.91 3fyu n ASN 209 Cb 0.52 -3.97 0.09 0.00 -0.53 0.00 0.00 39.78 35.89 3fyu n ASN 209 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 3fyu h PHE 210 N -1.79 -0.38 -0.29 1.20 0.04 -1.95 -0.63 116.94 113.14 3fyu h PHE 210 Ca -0.62 0.07 0.08 0.00 2.80 0.00 0.00 57.97 60.30 3fyu h PHE 210 Cb 1.35 0.29 -0.01 0.00 2.20 0.00 0.00 35.95 39.78 3fyu h PHE 210 CO 0.42 -0.32 0.24 0.93 -0.60 0.00 0.00 178.31 178.98 3fyu h GLU 211 N 0.00 0.00 0.10 1.51 5.08 -1.97 -1.95 114.58 117.36 3fyu h GLU 211 Ca 0.36 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.36 3fyu h GLU 211 Cb 0.56 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 3fyu h GLU 211 CO -0.77 0.00 -2.06 -2.13 -1.00 0.00 0.00 179.01 173.05 3fyu n ARG 212 N -4.18 0.74 -0.21 2.33 0.63 -0.57 -4.31 116.66 111.09 3fyu n ARG 212 Ca 0.04 0.24 0.01 0.00 -0.92 0.00 0.00 57.85 57.23 3fyu n ARG 212 Cb 0.40 -1.68 0.11 0.00 0.45 0.00 0.00 32.46 31.73 3fyu n ARG 212 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3fyu h ALA 213 N 0.13 0.63 0.00 5.13 0.00 -0.45 0.14 119.26 124.84 3fyu h ALA 213 Ca -0.44 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3fyu h ALA 213 Cb 2.02 0.32 0.00 0.00 0.00 0.00 0.00 17.79 20.13 3fyu h ALA 213 CO 0.06 -0.39 0.00 -0.39 0.00 0.00 0.00 179.25 178.53 3fyu h VAL 214 N 0.12 0.00 0.00 0.00 -1.51 -1.57 0.26 116.25 113.55 3fyu h VAL 214 Ca 0.33 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 65.67 3fyu h VAL 214 Cb 0.53 0.78 0.00 0.00 -2.13 0.00 0.00 31.29 30.47 3fyu h VAL 214 CO -0.53 0.00 -1.16 0.47 -1.23 0.00 0.00 177.57 175.12 3fyu n ASP 215 N -2.37 0.81 -0.03 4.19 8.00 0.35 -4.68 116.55 122.83 3fyu n ASP 215 Ca -0.00 -0.65 -0.04 0.00 0.71 0.00 0.00 54.79 54.81 3fyu n ASP 215 Cb 0.13 1.26 -0.04 0.00 -0.02 0.00 0.00 41.12 42.46 3fyu n ASP 215 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3fyu n VAL 216 N -1.65 0.42 -1.65 2.53 0.31 -0.38 -5.03 118.33 112.87 3fyu n VAL 216 Ca 0.01 -0.20 -0.40 0.00 -0.01 0.00 0.00 64.34 63.75 3fyu n VAL 216 Cb 0.35 -0.80 0.03 0.00 -0.91 0.00 0.00 33.84 32.51 3fyu n VAL 216 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fyu n ALA 217 N -2.52 0.65 0.09 3.52 0.00 0.85 -4.91 120.51 118.19 3fyu n ALA 217 Ca -0.12 0.16 0.01 0.00 0.00 0.00 0.00 53.44 53.49 3fyu n ALA 217 Cb 0.66 -2.17 0.01 0.00 0.00 0.00 0.00 19.45 17.94 3fyu n ALA 217 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3fyu n LEU 218 N -0.13 0.98 -4.18 0.00 4.77 -1.01 -4.97 117.00 112.47 3fyu n LEU 218 Ca 0.10 -0.91 -0.12 0.00 -0.03 0.00 0.00 56.01 55.06 3fyu n LEU 218 Cb 0.42 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.42 3fyu n LEU 218 CO 0.55 0.23 -0.21 -1.61 -1.33 0.00 0.00 177.39 175.01 3fyu s GLU 219 N -0.37 1.20 0.95 3.23 2.02 -1.22 -5.04 118.70 119.48 3fyu s GLU 219 Ca 0.02 -1.58 -0.11 0.00 0.02 0.00 0.00 54.97 53.32 3fyu s GLU 219 Cb 0.02 0.28 0.17 0.00 0.10 0.00 0.00 34.13 34.70 3fyu s GLU 219 CO 0.04 -0.40 1.10 -0.65 0.02 0.00 0.00 175.26 175.37 3fyu s GLN 220 N -4.14 0.74 0.00 1.61 -1.52 -1.26 -4.02 119.66 111.07 3fyu s GLN 220 Ca 0.36 1.17 0.18 0.00 -1.95 0.00 0.00 55.36 55.12 3fyu s GLN 220 Cb 0.06 -1.72 0.43 0.00 -0.22 0.00 0.00 33.01 31.56 3fyu s GLN 220 CO 0.11 -2.69 1.35 -0.35 -0.25 0.00 0.00 175.29 173.45 3fyu n PRO 221 N -4.24 2.50 -0.30 2.91 -0.04 -1.26 -4.73 135.00 129.84 3fyu n PRO 221 Ca 0.08 -2.24 -0.02 0.00 -0.04 0.00 0.00 63.50 61.28 3fyu n PRO 221 Cb 0.53 -1.44 0.14 0.00 -0.04 0.00 0.00 33.50 32.70 3fyu n PRO 221 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3fyu h TYR 222 N 3.52 1.15 0.00 0.54 0.05 -1.86 -1.60 116.97 118.78 3fyu h TYR 222 Ca 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.77 3fyu h TYR 222 Cb 0.87 -0.38 0.00 0.00 1.01 0.00 0.00 36.73 38.23 3fyu h TYR 222 CO 0.30 0.77 0.00 1.28 -1.05 0.00 0.00 178.16 179.46 3fyu n LEU 223 N -4.36 0.00 0.04 3.88 4.77 -1.26 -1.22 117.00 118.86 3fyu n LEU 223 Ca 0.09 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 3fyu n LEU 223 Cb 0.07 -0.32 0.31 0.00 -2.33 0.00 0.00 43.42 41.16 3fyu n LEU 223 CO 0.38 -0.31 0.89 -0.33 -1.33 0.00 0.00 177.39 176.68 3fyu h GLU 224 N 0.00 0.42 -0.46 3.23 5.08 -1.65 -0.37 114.58 120.83 3fyu h GLU 224 Ca 0.00 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 3fyu h GLU 224 Cb 0.01 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3fyu h GLU 224 CO 0.00 0.51 0.14 0.82 -1.00 0.00 0.00 179.01 179.49 3fyu h ILE 225 N 0.39 1.22 -0.52 3.13 2.04 -1.36 -0.31 117.51 122.10 3fyu h ILE 225 Ca 0.08 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.20 3fyu h ILE 225 Cb 0.40 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 3fyu h ILE 225 CO 0.02 0.27 0.33 0.78 0.00 0.00 0.00 178.15 179.55 3fyu h ASN 226 N 0.61 0.62 -0.32 1.72 4.21 -1.49 -1.19 115.58 119.73 3fyu h ASN 226 Ca 0.15 -0.04 -0.01 0.00 1.21 0.00 0.00 56.30 57.61 3fyu h ASN 226 Cb 0.27 -0.16 -0.02 0.00 -1.12 0.00 0.00 38.32 37.29 3fyu h ASN 226 CO -0.00 0.48 0.18 0.28 -1.29 0.00 0.00 177.43 177.08 3fyu h SER 227 N 0.70 0.42 0.10 5.81 0.02 -0.74 -1.34 113.55 118.53 3fyu h SER 227 Ca 0.19 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3fyu h SER 227 Cb -0.04 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.40 3fyu h SER 227 CO -0.04 0.35 -0.05 0.22 -1.14 0.00 0.00 176.83 176.18 3fyu h TYR 228 N 0.48 -0.12 -0.14 3.45 3.20 0.06 -2.54 116.97 121.36 3fyu h TYR 228 Ca 0.13 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 3fyu h TYR 228 Cb 0.03 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 3fyu h TYR 228 CO 0.00 0.11 -0.09 0.74 -1.64 0.00 0.00 178.16 177.28 3fyu h PHE 229 N -0.33 0.21 -0.76 -3.82 0.04 -0.78 -0.99 116.94 110.51 3fyu h PHE 229 Ca -0.01 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 3fyu h PHE 229 Cb 0.28 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.33 3fyu h PHE 229 CO -0.01 0.30 0.38 0.00 -0.60 0.00 0.00 178.31 178.39 3fyu h ARG 230 N 0.20 1.08 0.00 1.51 3.08 -1.13 -2.58 114.38 116.54 3fyu h ARG 230 Ca 0.04 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3fyu h ARG 230 Cb 0.29 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3fyu h ARG 230 CO 0.01 0.83 -0.08 0.54 -1.07 0.00 0.00 179.97 180.21 3fyu n ARG 231 N -4.41 0.05 -3.43 0.04 1.74 -0.64 -4.32 116.66 105.68 3fyu n ARG 231 Ca 0.07 0.04 -0.27 0.00 -0.77 0.00 0.00 57.85 56.91 3fyu n ARG 231 Cb 0.12 -1.55 -0.11 0.00 -1.02 0.00 0.00 32.46 29.90 3fyu n ARG 231 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3fyu s ASN 232 N -3.27 1.90 0.46 0.55 -0.87 -0.47 -4.99 114.94 108.25 3fyu s ASN 232 Ca 0.13 -2.92 0.31 0.00 -1.57 0.00 0.00 52.86 48.82 3fyu s ASN 232 Cb 0.18 -0.49 1.57 0.00 -0.02 0.00 0.00 41.25 42.49 3fyu s ASN 232 CO 0.57 -0.20 1.95 0.77 -2.57 0.00 0.00 177.10 177.62 3fyu h SER 233 N 5.92 0.00 -1.24 -1.22 4.64 -1.73 -3.43 113.55 116.50 3fyu h SER 233 Ca 0.22 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.84 3fyu h SER 233 Cb 0.92 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 3fyu h SER 233 CO 0.37 0.00 1.21 -0.67 -0.87 0.00 0.00 176.83 176.86 3fyu n ASP 234 N -2.67 2.22 -0.29 4.97 -0.08 -1.26 -4.81 116.55 114.63 3fyu n ASP 234 Ca -0.01 0.71 0.09 0.00 -1.51 0.00 0.00 54.79 54.08 3fyu n ASP 234 Cb 0.13 -1.20 0.25 0.00 2.34 0.00 0.00 41.12 42.65 3fyu n ASP 234 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3fyu h PRO 235 N 10.04 0.50 0.00 -0.67 0.11 -1.99 0.16 132.00 140.14 3fyu h PRO 235 Ca -0.34 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 3fyu h PRO 235 Cb 1.32 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3fyu h PRO 235 CO 1.00 0.33 -0.05 0.87 -0.21 0.00 0.00 178.00 179.95 3fyu h LYS 236 N 0.52 0.00 -0.53 1.05 1.57 -1.96 -1.31 116.57 115.91 3fyu h LYS 236 Ca 0.49 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 59.15 3fyu h LYS 236 Cb 0.80 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 3fyu h LYS 236 CO -0.43 0.05 -0.14 0.28 -0.57 0.00 0.00 179.45 178.64 3fyu h VAL 237 N 0.00 1.27 -0.23 0.50 2.07 -1.02 -0.71 116.25 118.12 3fyu h VAL 237 Ca -0.00 -1.30 -0.05 0.00 0.82 0.00 0.00 66.70 66.17 3fyu h VAL 237 Cb 0.11 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3fyu h VAL 237 CO 0.01 0.46 -0.04 -0.08 0.02 0.00 0.00 177.57 177.94 3fyu h GLU 238 N 0.90 0.44 -0.38 1.57 4.81 -1.17 0.25 114.58 120.99 3fyu h GLU 238 Ca 0.13 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3fyu h GLU 238 Cb 0.71 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 3fyu h GLU 238 CO 0.05 0.65 0.25 0.93 -0.73 0.00 0.00 179.01 180.16 3fyu h GLU 239 N 0.19 0.49 0.11 1.92 5.08 -1.39 -1.16 114.58 119.82 3fyu h GLU 239 Ca 0.06 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3fyu h GLU 239 Cb 0.48 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3fyu h GLU 239 CO 0.02 0.33 -0.05 -0.22 -1.00 0.00 0.00 179.01 178.08 3fyu h LYS 240 N 0.51 -0.14 -0.37 2.33 1.63 -1.00 -1.17 116.57 118.35 3fyu h LYS 240 Ca 0.14 0.01 0.08 0.00 -0.85 0.00 0.00 60.65 60.03 3fyu h LYS 240 Cb -0.05 0.03 -0.08 0.00 -0.60 0.00 0.00 32.23 31.53 3fyu h LYS 240 CO -0.03 -0.06 -0.13 0.00 -3.45 0.00 0.00 179.45 175.77 3fyu h ALA 241 N 0.71 0.18 0.00 5.00 0.00 -0.22 0.28 119.26 125.21 3fyu h ALA 241 Ca -0.01 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3fyu h ALA 241 Cb 0.14 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3fyu h ALA 241 CO 0.02 -0.50 -0.25 0.74 0.00 0.00 0.00 179.25 179.27 3fyu h PHE 242 N -0.06 0.00 -0.19 0.00 -1.00 -1.10 -1.04 116.94 113.55 3fyu h PHE 242 Ca 0.18 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.93 3fyu h PHE 242 Cb 0.34 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.89 3fyu h PHE 242 CO -0.37 0.25 -0.02 1.49 -1.61 0.00 0.00 178.31 178.04 3fyu h GLU 243 N 0.00 0.35 0.20 1.51 4.81 0.16 -2.13 114.58 119.48 3fyu h GLU 243 Ca -0.00 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.10 3fyu h GLU 243 Cb 0.51 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 3fyu h GLU 243 CO 0.03 0.58 -0.13 1.15 -0.73 0.00 0.00 179.01 179.91 3fyu h THR 244 N 0.09 0.72 -0.53 0.32 2.02 -0.52 -2.84 112.91 112.17 3fyu h THR 244 Ca 0.05 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.36 3fyu h THR 244 Cb 0.44 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 3fyu h THR 244 CO 0.01 0.00 0.37 -0.07 0.37 0.00 0.00 175.52 176.20 3fyu h LEU 245 N -0.32 0.12 -1.89 2.58 3.38 -1.15 -2.01 115.31 116.01 3fyu h LEU 245 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3fyu h LEU 245 Cb 0.28 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3fyu h LEU 245 CO 0.01 0.07 0.04 0.77 0.09 0.00 0.00 178.44 179.42 3fyu h SER 246 N 0.14 0.09 0.71 -0.43 4.64 -1.12 -0.70 113.55 116.88 3fyu h SER 246 Ca 0.25 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 3fyu h SER 246 Cb 0.81 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3fyu h SER 246 CO -0.03 0.08 0.00 -1.22 -0.87 0.00 0.00 176.83 174.79 3fyu n TYR 247 N -4.51 0.70 0.07 4.77 4.01 -0.76 -2.80 117.16 118.65 3fyu n TYR 247 Ca -0.02 0.27 0.01 0.00 -0.16 0.00 0.00 57.90 58.00 3fyu n TYR 247 Cb 0.10 -0.94 0.00 0.00 -0.31 0.00 0.00 39.34 38.19 3fyu n TYR 247 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3fyu n PHE 248 N -2.14 0.00 -2.13 -0.72 3.72 -0.40 -4.97 117.46 110.82 3fyu n PHE 248 Ca 0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.00 3fyu n PHE 248 Cb 0.23 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.74 3fyu n PHE 248 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3fyu s ASP 249 N -0.39 6.77 0.56 4.37 -1.08 -0.44 -4.90 116.67 121.56 3fyu s ASP 249 Ca 0.02 2.26 0.27 0.00 -0.52 0.00 0.00 52.55 54.57 3fyu s ASP 249 Cb 0.01 -2.57 1.48 0.00 -1.46 0.00 0.00 42.92 40.39 3fyu s ASP 249 CO 0.03 -0.76 2.00 -0.07 0.52 0.00 0.00 175.17 176.90 3fyu h LEU 250 N 8.16 0.00 -1.18 -1.34 3.38 -1.59 0.82 115.31 123.57 3fyu h LEU 250 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3fyu h LEU 250 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3fyu h LEU 250 CO 0.91 0.00 0.00 0.16 0.09 0.00 0.00 178.44 179.60 3fyu h ILE 251 N 0.00 0.00 0.00 1.22 3.07 -1.87 0.44 117.51 120.37 3fyu h ILE 251 Ca 0.20 -0.32 -0.18 0.00 1.55 0.00 0.00 64.86 66.11 3fyu h ILE 251 Cb 0.90 1.16 -0.03 0.00 -0.27 0.00 0.00 36.82 38.57 3fyu h ILE 251 CO -0.00 0.00 -1.99 0.59 -1.05 0.00 0.00 178.15 175.70 3fyu n ASN 252 N -2.63 0.22 -0.04 2.16 3.02 0.25 -4.43 115.26 113.81 3fyu n ASN 252 Ca 0.01 0.09 -0.10 0.00 -0.03 0.00 0.00 54.58 54.55 3fyu n ASN 252 Cb 0.24 1.16 -0.14 0.00 -0.61 0.00 0.00 39.78 40.42 3fyu n ASN 252 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3fyu n LEU 253 N -2.60 0.89 -0.30 3.41 4.77 -0.97 -4.38 117.00 117.82 3fyu n LEU 253 Ca -0.16 0.29 0.13 0.00 -0.03 0.00 0.00 56.01 56.23 3fyu n LEU 253 Cb 0.86 0.10 0.30 0.00 -2.33 0.00 0.00 43.42 42.34 3fyu n LEU 253 CO 0.44 0.47 1.02 0.00 -1.33 0.00 0.00 177.39 177.99 3fyu h ALA 254 N 0.89 1.37 0.00 -1.18 0.00 -0.34 0.50 119.26 120.50 3fyu h ALA 254 Ca -0.37 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3fyu h ALA 254 Cb 2.07 0.19 0.00 0.00 0.00 0.00 0.00 17.79 20.05 3fyu h ALA 254 CO 0.06 -0.37 0.16 0.78 0.00 0.00 0.00 179.25 179.88 3fyu h GLY 255 N 0.35 0.00 0.92 0.00 0.00 -1.72 0.00 103.07 102.61 3fyu h GLY 255 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.88 3fyu h GLY 255 CO -0.55 0.00 -0.91 0.79 0.00 0.00 0.00 176.54 175.87 3fyu n TRP 256 N -2.45 0.61 -2.01 5.60 8.01 0.16 -4.76 117.44 122.61 3fyu n TRP 256 Ca -0.02 0.18 -0.42 0.00 -1.31 0.00 0.00 57.50 55.93 3fyu n TRP 256 Cb 0.20 -0.70 -0.03 0.00 -2.01 0.00 0.00 31.31 28.77 3fyu n TRP 256 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 3fyu s VAL 257 N -3.26 3.27 -0.35 -0.99 1.01 -0.01 -4.70 120.40 115.38 3fyu s VAL 257 Ca 0.03 0.67 0.05 0.00 0.00 0.00 0.00 61.98 62.73 3fyu s VAL 257 Cb 0.12 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 3fyu s VAL 257 CO 0.77 -0.01 0.32 0.29 0.00 0.00 0.00 175.10 176.47 3fyu n LYS 258 N 5.71 4.08 -2.94 2.72 4.76 -1.26 -4.48 118.16 126.74 3fyu n LYS 258 Ca 0.15 -0.19 -0.32 0.00 -2.87 0.00 0.00 58.31 55.08 3fyu n LYS 258 Cb 0.42 -0.82 -0.05 0.00 -1.84 0.00 0.00 35.03 32.73 3fyu n LYS 258 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3fyu s GLN 259 N -1.25 4.00 0.20 1.97 1.11 -1.26 -4.71 119.66 119.72 3fyu s GLN 259 Ca 0.03 0.75 -0.32 0.00 0.01 0.00 0.00 55.36 55.83 3fyu s GLN 259 Cb 0.04 -2.34 -0.12 0.00 -1.01 0.00 0.00 33.01 29.58 3fyu s GLN 259 CO 0.18 0.04 1.71 -2.14 0.01 0.00 0.00 175.29 175.09 3fyu s PRO 260 N -3.31 4.13 -0.04 2.91 0.02 -1.24 -4.48 135.00 132.99 3fyu s PRO 260 Ca 0.56 2.59 0.07 0.00 0.02 0.00 0.00 61.00 64.24 3fyu s PRO 260 Cb -0.10 -3.09 -0.02 0.00 0.02 0.00 0.00 34.50 31.32 3fyu s PRO 260 CO 0.21 -0.74 -0.25 0.99 -0.33 0.00 0.00 177.00 176.87 3fyu s THR 261 N 1.19 2.11 -0.16 0.99 2.01 0.10 -1.14 115.64 120.74 3fyu s THR 261 Ca 0.75 -1.07 0.01 0.00 0.31 0.00 0.00 61.69 61.69 3fyu s THR 261 Cb -0.49 -1.74 0.02 0.00 0.01 0.00 0.00 72.50 70.29 3fyu s THR 261 CO 0.32 0.58 -0.18 -0.22 -0.69 0.00 0.00 174.62 174.42 3fyu s LEU 262 N -0.43 1.99 0.19 4.42 2.96 1.00 -1.49 118.68 127.31 3fyu s LEU 262 Ca 0.04 -0.59 0.10 0.00 -0.22 0.00 0.00 54.13 53.46 3fyu s LEU 262 Cb -0.12 -1.37 -0.04 0.00 0.50 0.00 0.00 46.19 45.16 3fyu s LEU 262 CO 0.01 -0.00 -0.20 -0.04 -1.32 0.00 0.00 176.35 174.80 3fyu s MET 263 N 1.26 1.39 0.14 1.98 -1.94 0.08 -0.61 119.30 121.60 3fyu s MET 263 Ca 0.03 -1.49 0.06 0.00 -1.71 0.00 0.00 55.69 52.58 3fyu s MET 263 Cb -0.13 -1.51 -0.04 0.00 2.01 0.00 0.00 34.83 35.15 3fyu s MET 263 CO -0.10 0.31 -0.14 0.00 -0.01 0.00 0.00 175.02 175.08 3fyu s ALA 264 N -2.03 1.58 -0.29 3.03 0.00 -0.94 0.71 121.76 123.82 3fyu s ALA 264 Ca 0.19 -1.38 -0.15 0.00 0.00 0.00 0.00 51.96 50.62 3fyu s ALA 264 Cb -0.06 -0.06 0.10 0.00 0.00 0.00 0.00 23.12 23.10 3fyu s ALA 264 CO 0.08 0.07 0.74 -1.50 0.00 0.00 0.00 175.76 175.15 3fyu s ILE 265 N -2.45 -0.25 -0.11 0.00 1.10 -0.23 -0.38 121.20 118.88 3fyu s ILE 265 Ca 0.12 0.00 -0.14 0.00 -0.51 0.00 0.00 60.65 60.12 3fyu s ILE 265 Cb -0.03 -1.00 -0.05 0.00 0.15 0.00 0.00 42.46 41.53 3fyu s ILE 265 CO 0.03 0.00 0.35 -0.83 -2.11 0.00 0.00 174.94 172.38 3fyu s GLY 266 N 1.92 2.31 0.27 1.50 0.00 -1.26 -0.87 107.32 111.19 3fyu s GLY 266 Ca -0.09 -0.36 0.23 0.00 0.00 0.00 0.00 44.72 44.51 3fyu s GLY 266 CO -0.19 0.38 1.70 1.04 0.00 0.00 0.00 173.10 176.03 3fyu n LEU 267 N 3.07 0.65 -1.13 0.66 4.77 -0.65 -2.20 117.00 122.17 3fyu n LEU 267 Ca -0.12 0.69 0.07 0.00 -0.03 0.00 0.00 56.01 56.61 3fyu n LEU 267 Cb 0.52 -0.63 0.28 0.00 -2.33 0.00 0.00 43.42 41.26 3fyu n LEU 267 CO 0.39 -0.65 0.75 2.30 -1.33 0.00 0.00 177.39 178.86 3fyu n ILE 268 N -2.24 2.43 -2.29 -0.08 -5.35 -0.86 -4.53 119.36 106.44 3fyu n ILE 268 Ca 0.01 -1.85 -0.43 0.00 -0.27 0.00 0.00 62.75 60.21 3fyu n ILE 268 Cb 0.19 -0.27 -0.02 0.00 -1.74 0.00 0.00 39.64 37.79 3fyu n ILE 268 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3fyu s ASP 269 N -1.75 6.68 0.00 7.28 -1.08 -0.93 -4.60 116.67 122.27 3fyu s ASP 269 Ca 0.45 1.60 0.22 0.00 -0.52 0.00 0.00 52.55 54.30 3fyu s ASP 269 Cb 0.36 -2.54 -0.18 0.00 -1.46 0.00 0.00 42.92 39.10 3fyu s ASP 269 CO 0.10 -1.01 0.82 0.29 0.52 0.00 0.00 175.17 175.88 3fyu n LYS 270 N 7.17 0.26 -0.06 4.34 5.02 -1.26 -3.74 118.16 129.89 3fyu n LYS 270 Ca 0.16 -0.06 -0.18 0.00 -2.02 0.00 0.00 58.31 56.21 3fyu n LYS 270 Cb 0.45 -1.53 -0.13 0.00 -0.02 0.00 0.00 35.03 33.81 3fyu n LYS 270 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3fyu h ILE 271 N 0.00 1.40 -3.28 -0.18 2.04 -1.86 -2.67 117.51 112.97 3fyu h ILE 271 Ca 0.00 -2.33 -0.63 0.00 1.00 0.00 0.00 64.86 62.90 3fyu h ILE 271 Cb 0.70 2.94 -0.41 0.00 -0.74 0.00 0.00 36.82 39.31 3fyu h ILE 271 CO 0.00 0.55 -0.64 0.42 0.00 0.00 0.00 178.15 178.48 3fyu s THR 272 N -2.32 2.45 0.16 -0.27 -4.23 -1.26 -4.75 115.64 105.42 3fyu s THR 272 Ca -0.21 -3.35 -0.33 0.00 -1.18 0.00 0.00 61.69 56.62 3fyu s THR 272 Cb 0.01 -2.69 -0.16 0.00 1.34 0.00 0.00 72.50 71.00 3fyu s THR 272 CO 0.69 -0.85 1.11 -2.65 -0.54 0.00 0.00 174.62 172.38 3fyu n PRO 273 N 3.00 1.00 -0.35 3.99 -0.02 -1.25 -4.75 135.00 136.62 3fyu n PRO 273 Ca 0.08 0.36 0.25 0.00 -2.02 0.00 0.00 63.50 62.16 3fyu n PRO 273 Cb 0.33 -1.81 0.50 0.00 -0.02 0.00 0.00 33.50 32.50 3fyu n PRO 273 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3fyu h PRO 274 N 3.13 0.34 -0.86 0.52 0.11 -1.81 0.12 132.00 133.55 3fyu h PRO 274 Ca -0.43 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 3fyu h PRO 274 Cb 1.36 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.35 3fyu h PRO 274 CO 0.68 0.23 0.45 0.66 -0.21 0.00 0.00 178.00 179.81 3fyu h SER 275 N 0.35 1.08 0.06 -2.05 4.64 -1.94 0.24 113.55 115.94 3fyu h SER 275 Ca 0.69 -0.10 -0.13 0.00 -0.47 0.00 0.00 61.79 61.78 3fyu h SER 275 Cb 1.70 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 63.50 3fyu h SER 275 CO -0.45 0.88 -0.43 0.71 -0.87 0.00 0.00 176.83 176.66 3fyu h THR 276 N 1.20 1.31 -0.07 2.95 1.35 -1.08 -0.17 112.91 118.40 3fyu h THR 276 Ca 0.30 -1.61 -0.18 0.00 -0.55 0.00 0.00 66.41 64.37 3fyu h THR 276 Cb 0.05 1.64 0.01 0.00 -1.73 0.00 0.00 68.15 68.12 3fyu h THR 276 CO -0.05 0.50 -0.67 0.58 -0.25 0.00 0.00 175.52 175.63 3fyu h VAL 277 N 0.38 1.35 -0.35 6.82 2.07 -1.06 -2.90 116.25 122.57 3fyu h VAL 277 Ca 0.03 -1.98 -0.03 0.00 0.82 0.00 0.00 66.70 65.53 3fyu h VAL 277 Cb 0.92 2.28 -0.02 0.00 -1.52 0.00 0.00 31.29 32.94 3fyu h VAL 277 CO 0.08 0.60 0.07 -0.26 0.02 0.00 0.00 177.57 178.08 3fyu h PHE 278 N 0.20 0.51 -0.77 1.57 -1.00 -0.43 -0.97 116.94 116.05 3fyu h PHE 278 Ca -0.06 -0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.68 3fyu h PHE 278 Cb 1.33 -0.16 -0.04 0.00 3.61 0.00 0.00 35.95 40.70 3fyu h PHE 278 CO 0.11 0.46 0.48 0.00 -1.61 0.00 0.00 178.31 177.76 3fyu h ALA 279 N 1.58 0.98 -0.26 2.45 0.00 -0.95 0.13 119.26 123.19 3fyu h ALA 279 Ca 0.12 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3fyu h ALA 279 Cb 0.22 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3fyu h ALA 279 CO -0.00 0.43 -0.24 0.00 0.00 0.00 0.00 179.25 179.44 3fyu h ALA 280 N 1.26 0.38 -0.54 0.00 0.00 -1.19 -2.92 119.26 116.25 3fyu h ALA 280 Ca 0.28 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3fyu h ALA 280 Cb -0.06 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3fyu h ALA 280 CO -0.05 0.36 0.31 -0.92 0.00 0.00 0.00 179.25 178.95 3fyu h TYR 281 N 0.35 0.72 0.00 0.00 3.20 -0.79 -2.40 116.97 118.04 3fyu h TYR 281 Ca 0.04 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3fyu h TYR 281 Cb 0.80 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.84 3fyu h TYR 281 CO 0.07 0.51 0.00 0.09 -1.64 0.00 0.00 178.16 177.19 3fyu n ASN 282 N -4.65 0.11 -0.71 -2.11 3.02 0.40 -1.99 115.26 109.33 3fyu n ASN 282 Ca 0.03 0.52 0.13 0.00 -0.03 0.00 0.00 54.58 55.23 3fyu n ASN 282 Cb 0.07 -0.55 0.26 0.00 -0.61 0.00 0.00 39.78 38.95 3fyu n ASN 282 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3fyu n HIS 283 N -1.62 0.00 -3.03 3.10 8.25 -0.91 -4.90 115.22 116.11 3fyu n HIS 283 Ca 0.04 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.14 3fyu n HIS 283 Cb 0.22 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.26 3fyu n HIS 283 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3fyu s LEU 284 N -2.06 4.30 -0.46 2.41 1.43 -0.84 -2.83 118.68 120.63 3fyu s LEU 284 Ca 0.31 1.49 0.04 0.00 -1.03 0.00 0.00 54.13 54.94 3fyu s LEU 284 Cb 0.20 -3.76 0.17 0.00 0.03 0.00 0.00 46.19 42.83 3fyu s LEU 284 CO 0.34 -0.03 0.36 -1.61 0.23 0.00 0.00 176.35 175.65 3fyu s GLU 285 N -2.14 1.15 0.30 1.70 2.02 -1.26 -4.99 118.70 115.47 3fyu s GLU 285 Ca 0.46 -2.29 -0.19 0.00 0.02 0.00 0.00 54.97 52.98 3fyu s GLU 285 Cb -0.16 -1.75 0.06 0.00 0.10 0.00 0.00 34.13 32.38 3fyu s GLU 285 CO 0.21 -1.36 0.89 -0.08 0.02 0.00 0.00 175.26 174.94 3fyu s THR 286 N -0.15 0.00 -0.29 3.63 -1.32 -1.26 -4.78 115.64 111.47 3fyu s THR 286 Ca 0.31 -0.83 -0.29 0.00 -1.21 0.00 0.00 61.69 59.67 3fyu s THR 286 Cb 0.01 -2.81 -0.02 0.00 -1.51 0.00 0.00 72.50 68.17 3fyu s THR 286 CO -0.18 0.00 1.63 -1.81 -2.21 0.00 0.00 174.62 172.04 3fyu s ASP 287 N -3.19 6.22 0.14 8.08 1.01 -1.26 -4.91 116.67 122.76 3fyu s ASP 287 Ca 0.18 1.36 0.03 0.00 0.71 0.00 0.00 52.55 54.83 3fyu s ASP 287 Cb -0.04 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 3fyu s ASP 287 CO 0.09 -1.43 -0.05 -1.59 0.21 0.00 0.00 175.17 172.39 3fyu s LYS 288 N 5.02 1.01 -0.21 8.23 -2.85 -1.26 0.00 119.74 129.68 3fyu s LYS 288 Ca 0.72 -1.44 -0.12 0.00 -1.00 0.00 0.00 55.97 54.13 3fyu s LYS 288 Cb -0.22 -0.37 0.07 0.00 -2.06 0.00 0.00 37.83 35.25 3fyu s LYS 288 CO 0.31 -0.03 0.51 0.34 0.10 0.00 0.00 175.35 176.58 3fyu s ASP 289 N -3.13 -0.67 -0.25 0.03 2.15 -0.56 -4.95 116.67 109.29 3fyu s ASP 289 Ca 0.18 1.12 -0.04 0.00 0.43 0.00 0.00 52.55 54.23 3fyu s ASP 289 Cb 0.05 1.00 0.01 0.00 -0.30 0.00 0.00 42.92 43.67 3fyu s ASP 289 CO -0.00 -0.21 -0.02 -0.22 -0.17 0.00 0.00 175.17 174.55 3fyu s LEU 290 N 1.50 3.23 -0.24 -1.34 2.96 -1.26 -0.74 118.68 122.78 3fyu s LEU 290 Ca -0.10 -0.61 -0.21 0.00 -0.22 0.00 0.00 54.13 52.99 3fyu s LEU 290 Cb -0.07 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 3fyu s LEU 290 CO -0.15 -0.10 0.66 -0.54 -1.32 0.00 0.00 176.35 174.90 3fyu s LYS 291 N 1.44 4.14 -0.24 1.98 -0.14 0.22 -4.97 119.74 122.16 3fyu s LYS 291 Ca 0.03 0.63 -0.08 0.00 -1.36 0.00 0.00 55.97 55.19 3fyu s LYS 291 Cb -0.16 -3.64 -0.03 0.00 -1.68 0.00 0.00 37.83 32.32 3fyu s LYS 291 CO -0.02 -0.40 0.09 0.08 -0.76 0.00 0.00 175.35 174.33 3fyu s VAL 292 N 2.47 4.55 -0.43 3.17 1.01 -1.26 -1.07 120.40 128.84 3fyu s VAL 292 Ca 0.28 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.17 3fyu s VAL 292 Cb -0.16 -3.12 0.12 0.00 0.00 0.00 0.00 36.38 33.22 3fyu s VAL 292 CO 0.09 0.34 0.18 -0.31 0.00 0.00 0.00 175.10 175.40 3fyu s TYR 293 N 1.44 3.57 0.22 5.22 2.02 -0.05 -4.99 117.35 124.79 3fyu s TYR 293 Ca 0.06 -2.80 -0.12 0.00 -0.37 0.00 0.00 57.07 53.84 3fyu s TYR 293 Cb -0.15 -3.05 0.29 0.00 -0.40 0.00 0.00 41.96 38.66 3fyu s TYR 293 CO 0.05 -0.91 1.64 -0.09 -1.57 0.00 0.00 175.55 174.66 3fyu h ARG 294 N 7.51 0.04 -0.45 -0.62 9.65 -1.95 -1.63 114.38 126.93 3fyu h ARG 294 Ca -0.07 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 3fyu h ARG 294 Cb 1.00 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.57 3fyu h ARG 294 CO 0.63 0.03 0.00 0.66 2.80 0.00 0.00 179.97 184.09 3fyu n TYR 295 N -5.38 0.52 -4.45 2.20 4.01 -1.26 -3.93 117.16 108.87 3fyu n TYR 295 Ca 0.09 -0.22 -0.23 0.00 -0.16 0.00 0.00 57.90 57.38 3fyu n TYR 295 Cb 0.36 -0.08 -0.10 0.00 -0.31 0.00 0.00 39.34 39.22 3fyu n TYR 295 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3fyu s PHE 296 N -1.63 2.19 0.00 -0.72 0.40 -0.99 -4.96 117.98 112.26 3fyu s PHE 296 Ca 0.20 -0.37 0.00 0.00 -0.60 0.00 0.00 56.93 56.16 3fyu s PHE 296 Cb 0.12 -0.96 0.00 0.00 0.51 0.00 0.00 43.02 42.70 3fyu s PHE 296 CO 0.11 0.66 0.00 0.41 0.70 0.00 0.00 175.22 177.10 3fyu n GLY 297 N -0.57 5.19 3.45 4.36 0.00 -1.26 -2.03 105.19 114.32 3fyu n GLY 297 Ca -0.06 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 3fyu n GLY 297 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3fyu n HIS 298 N 0.00 4.28 -3.83 1.61 -0.00 -1.26 -4.38 115.22 111.63 3fyu n HIS 298 Ca 0.00 -2.71 -0.08 0.00 0.46 0.00 0.00 57.72 55.38 3fyu n HIS 298 Cb 0.00 -2.61 0.01 0.00 -0.12 0.00 0.00 29.99 27.27 3fyu n HIS 298 CO 0.00 0.00 0.00 -1.83 0.46 0.00 0.00 176.34 174.97 3fyu s GLU 299 N 4.30 2.10 0.12 1.57 -1.05 -1.26 -5.07 118.70 119.41 3fyu s GLU 299 Ca 0.54 -1.32 -0.31 0.00 -0.15 0.00 0.00 54.97 53.73 3fyu s GLU 299 Cb 0.05 0.62 -0.08 0.00 -0.44 0.00 0.00 34.13 34.28 3fyu s GLU 299 CO 0.06 -0.97 1.43 0.12 0.95 0.00 0.00 175.26 176.85 3fyu s PHE 300 N -2.80 3.17 -0.40 4.83 5.36 -1.26 -4.98 117.98 121.91 3fyu s PHE 300 Ca 0.15 0.86 -0.01 0.00 -0.96 0.00 0.00 56.93 56.97 3fyu s PHE 300 Cb -0.05 -3.74 0.11 0.00 -0.34 0.00 0.00 43.02 39.00 3fyu s PHE 300 CO 0.10 -2.64 0.17 0.42 -1.46 0.00 0.00 175.22 171.81 3fyu s ILE 301 N 1.19 3.00 0.23 3.12 1.01 -1.26 -5.00 121.20 123.49 3fyu s ILE 301 Ca 0.66 -2.18 -0.16 0.00 0.00 0.00 0.00 60.65 58.97 3fyu s ILE 301 Cb -0.38 -3.09 0.26 0.00 0.01 0.00 0.00 42.46 39.25 3fyu s ILE 301 CO 0.30 -0.67 1.56 -0.65 0.00 0.00 0.00 174.94 175.49 3fyu h PRO 302 N 7.88 -0.03 -0.98 2.79 0.11 -2.01 0.13 132.00 139.90 3fyu h PRO 302 Ca -0.10 0.00 0.17 0.00 0.11 0.00 0.00 66.00 66.18 3fyu h PRO 302 Cb 1.04 0.01 -0.10 0.00 0.11 0.00 0.00 31.00 32.05 3fyu h PRO 302 CO 0.65 -0.02 0.58 0.00 -0.21 0.00 0.00 178.00 179.00 3fyu h ALA 303 N 1.44 1.56 0.00 -0.75 0.00 -2.02 -0.29 119.26 119.21 3fyu h ALA 303 Ca 0.35 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.27 3fyu h ALA 303 Cb 0.61 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3fyu h ALA 303 CO -0.92 0.01 -0.28 0.35 0.00 0.00 0.00 179.25 178.41 3fyu h PHE 304 N 0.79 0.00 -0.66 0.00 3.57 -1.18 -2.87 116.94 116.59 3fyu h PHE 304 Ca 0.54 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.99 3fyu h PHE 304 Cb 0.76 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.48 3fyu h PHE 304 CO -0.02 0.28 0.22 0.37 -2.23 0.00 0.00 178.31 176.93 3fyu h GLN 305 N 0.00 1.02 -0.51 1.11 5.75 -0.62 0.23 115.11 122.09 3fyu h GLN 305 Ca -0.00 -0.21 -0.01 0.00 -0.15 0.00 0.00 58.65 58.27 3fyu h GLN 305 Cb 0.81 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 29.19 3fyu h GLN 305 CO 0.04 0.88 0.27 1.15 -2.65 0.00 0.00 178.83 178.51 3fyu h THR 306 N 0.95 1.18 -0.34 2.39 2.02 -1.40 0.94 112.91 118.65 3fyu h THR 306 Ca 0.22 -0.47 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 3fyu h THR 306 Cb 0.27 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 3fyu h THR 306 CO -0.01 0.19 0.20 -0.33 0.37 0.00 0.00 175.52 175.95 3fyu h GLU 307 N 0.67 0.46 -0.02 6.66 4.39 -1.28 -0.28 114.58 125.19 3fyu h GLU 307 Ca 0.18 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.83 3fyu h GLU 307 Cb 0.07 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.62 3fyu h GLU 307 CO -0.03 0.35 0.01 -0.22 -1.16 0.00 0.00 179.01 177.96 3fyu h LYS 308 N 0.44 0.02 -0.72 2.33 3.64 -0.17 0.98 116.57 123.09 3fyu h LYS 308 Ca 0.12 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 3fyu h LYS 308 Cb 0.01 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 3fyu h LYS 308 CO -0.02 0.10 0.32 -0.07 -2.27 0.00 0.00 179.45 177.51 3fyu h LEU 309 N -0.07 0.97 -0.09 5.20 3.38 -0.73 0.33 115.31 124.30 3fyu h LEU 309 Ca 0.01 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3fyu h LEU 309 Cb 0.09 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3fyu h LEU 309 CO -0.00 0.85 0.04 -1.28 0.09 0.00 0.00 178.44 178.14 3fyu h SER 310 N 1.02 0.12 0.00 -0.43 0.87 -0.87 0.37 113.55 114.63 3fyu h SER 310 Ca 0.24 -0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 60.67 3fyu h SER 310 Cb 0.16 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 3fyu h SER 310 CO -0.03 0.22 -0.00 0.15 -0.53 0.00 0.00 176.83 176.64 3fyu h PHE 311 N 0.00 -0.00 -0.58 2.24 3.04 -0.57 0.06 116.94 121.14 3fyu h PHE 311 Ca 0.03 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.93 3fyu h PHE 311 Cb 0.14 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.62 3fyu h PHE 311 CO -0.03 0.01 0.16 -0.07 -2.02 0.00 0.00 178.31 176.36 3fyu h LEU 312 N -0.01 0.82 -0.43 0.59 3.38 -0.88 -1.43 115.31 117.35 3fyu h LEU 312 Ca -0.00 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 3fyu h LEU 312 Cb 0.01 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3fyu h LEU 312 CO 0.00 0.79 0.08 -0.61 0.09 0.00 0.00 178.44 178.79 3fyu h GLN 313 N 0.85 0.71 -0.50 1.13 4.15 -0.66 0.28 115.11 121.06 3fyu h GLN 313 Ca 0.19 -0.19 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 3fyu h GLN 313 Cb 0.28 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 3fyu h GLN 313 CO -0.00 0.74 0.19 -0.22 -1.93 0.00 0.00 178.83 177.60 3fyu h LYS 314 N 0.57 0.76 0.00 1.69 3.64 -0.60 -2.03 116.57 120.60 3fyu h LYS 314 Ca 0.13 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3fyu h LYS 314 Cb 0.36 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3fyu h LYS 314 CO 0.01 0.68 -1.03 0.72 -2.27 0.00 0.00 179.45 177.56 3fyu n HIS 315 N -4.54 0.66 -0.02 1.91 8.25 -0.57 -4.62 115.22 116.29 3fyu n HIS 315 Ca 0.02 0.19 -0.02 0.00 -0.26 0.00 0.00 57.72 57.65 3fyu n HIS 315 Cb 0.17 -0.76 -0.03 0.00 1.12 0.00 0.00 29.99 30.49 3fyu n HIS 315 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3fyu n LEU 316 N -2.39 0.36 -0.40 2.41 4.77 0.98 -4.96 117.00 117.76 3fyu n LEU 316 Ca 0.01 -0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.13 3fyu n LEU 316 Cb 0.51 0.06 0.60 0.00 -2.33 0.00 0.00 43.42 42.26 3fyu n LEU 316 CO 0.40 0.15 0.91 0.18 -1.33 0.00 0.00 177.39 177.70